N-[4-[[(4-azidosulfonylphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]sulfonylnaphthalene-1-carboxamide

Systemtic Name: N-[4-[[(4-azidosulfonylphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]sulfonylnaphthalene-1-carboxamide Openeye Name: N-[4-[[(4-azidosulfonylphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]sulfonylnaphthalene-1-carboxamide CAS Name: N-[4-[[(4-azidosulfonylphenyl)methyl-[2-(phenylthio)ethyl]amino]methyl]phenyl]sulfonyl-1-naphthalenecarboxamide IUPAC Name: N-[4-[[(4-azidosulfonylphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]sulfonylnaphthalene-1-carboxamide Traditional Name: N-[4-[[(4-azidosulfonylbenzyl)-[2-(phenylthio)ethyl]amino]methyl]phenyl]sulfonyl-1-naphthamide Formula: C33H29N5O5S3 MolecularWeight: 671.80886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCN(CC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=C(C=C5)S(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

C1=CC=C(C=C1)SCCN(CC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=C(C=C5)S(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C33H29N5O5S3/c34-36-37-46(42,43)30-19-15-26(16-20-30)24-38(21-22-44-28-9-2-1-3-10-28)23-25-13-17-29(18-14-25)45(40,41)35-33(39)32-12-6-8-27-7-4-5-11-31(27)32/h1-20H,21-24H2,(H,35,39)