4-[[6-azanylidene-5-[2-[2-[4-(2-chloranylethanoylamino)phenoxy]sulfonylphenyl]hydrazinyl]-4-oxidanylidene-naphthalen-2-yl]sulfonyl-ethyl-amino]benzenesulfonic acid

Systemtic Name: 4-[[6-azanylidene-5-[2-[2-[4-(2-chloranylethanoylamino)phenoxy]sulfonylphenyl]hydrazinyl]-4-oxidanylidene-naphthalen-2-yl]sulfonyl-ethyl-amino]benzenesulfonic acid Openeye Name: 4-[[5-[2-[2-[4-[(2-chloroacetyl)amino]phenoxy]sulfonylphenyl]hydrazino]-6-imino-4-oxo-2-naphthyl]sulfonyl-ethyl-amino]benzenesulfonic acid CAS Name: 4-[[5-[[2-[4-[(2-chloro-1-oxoethyl)amino]phenoxy]sulfonylphenyl]hydrazo]-6-imino-4-oxo-2-naphthalenyl]sulfonyl-ethylamino]benzenesulfonic acid IUPAC Name: 4-[[5-[2-[2-[4-[(2-chloroacetyl)amino]phenoxy]sulfonylphenyl]hydrazinyl]-6-imino-4-oxonaphthalen-2-yl]sulfonyl-ethylamino]benzenesulfonic acid Traditional Name: 4-[[5-[N'-[2-[4-[(2-chloroacetyl)amino]phenoxy]sulfonylphenyl]hydrazino]-6-imino-4-keto-2-naphthyl]sulfonyl-ethyl-amino]besylic acid Formula: C32H28ClN5O10S3 MolecularWeight: 774.24022

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)S(=O)(=O)O)S(=O)(=O)C2=CC(=O)C3=C(C(=N)C=CC3=C2)NNC4=CC=CC=C4S(=O)(=O)OC5=CC=C(C=C5)NC(=O)CCl

Isomeric SMILES

CCN(C1=CC=C(C=C1)S(=O)(=O)O)S(=O)(=O)C2=CC(=O)C3=C(C(=N)C=CC3=C2)NNC4=CC=CC=C4S(=O)(=O)OC5=CC=C(C=C5)NC(=O)CCl

InChI

InChI=1S/C32H28ClN5O10S3/c1-2-38(22-10-14-24(15-11-22)50(43,44)45)49(41,42)25-17-20-7-16-26(34)32(31(20)28(39)18-25)37-36-27-5-3-4-6-29(27)51(46,47)48-23-12-8-21(9-13-23)35-30(40)19-33/h3-18,34,36-37H,2,19H2,1H3,(H,35,40)(H,43,44,45)