4-(3-methanoyl-1-benzothiophen-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(3-methanoyl-1-benzothiophen-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(3-formylbenzothiophen-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(3-formyl-1-benzothiophen-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(3-formyl-1-benzothiophen-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(3-formylbenzothiophen-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C30H23N3O6S3 MolecularWeight: 617.71512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC5=C(C=C4)SC=C5C=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC5=C(C=C4)SC=C5C=O)[N+](=O)[O-]

InChI

InChI=1S/C30H23N3O6S3/c34-18-23-19-41-29-13-10-22(16-26(23)29)20-6-8-21(9-7-20)30(35)32-42(38,39)25-11-12-27(28(17-25)33(36)37)31-14-15-40-24-4-2-1-3-5-24/h1-13,16-19,31H,14-15H2,(H,32,35)