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

Systemtic Name: 4-(3-methoxycyclohepten-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(3-methoxycyclohepten-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(3-methoxy-1-cycloheptenyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(3-methoxycyclohepten-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(3-methoxycyclohepten-1-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C29H31N3O6S2 MolecularWeight: 581.70294

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCCC(=C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1CCCCC(=C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H31N3O6S2/c1-38-24-8-6-5-7-23(19-24)21-11-13-22(14-12-21)29(33)31-40(36,37)26-15-16-27(28(20-26)32(34)35)30-17-18-39-25-9-3-2-4-10-25/h2-4,9-16,19-20,24,30H,5-8,17-18H2,1H3,(H,31,33)