3-azanyl-N-[2-[4-(4-azanyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-chloranyl-N-phenyl-benzamide

Systemtic Name: 3-azanyl-N-[2-[4-(4-azanyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-chloranyl-N-phenyl-benzamide Openeye Name: 3-amino-N-[2-[4-(4-amino-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-4-chloro-N-phenyl-benzamide CAS Name: 3-amino-N-[2-[4-(4-amino-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]-4-chloro-N-phenylbenzamide IUPAC Name: 3-amino-N-[2-[4-(4-amino-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-4-chloro-N-phenylbenzamide Traditional Name: 3-amino-N-[2-[4-(4-amino-2-mesyl-phenyl)piperazino]-2-keto-ethyl]-4-chloro-N-phenyl-benzamide Formula: C26H28ClN5O4S MolecularWeight: 542.04962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)N)N2CCN(CC2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)N

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)N)N2CCN(CC2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)N

InChI

InChI=1S/C26H28ClN5O4S/c1-37(35,36)24-16-19(28)8-10-23(24)30-11-13-31(14-12-30)25(33)17-32(20-5-3-2-4-6-20)26(34)18-7-9-21(27)22(29)15-18/h2-10,15-16H,11-14,17,28-29H2,1H3