N-[4-[1-adamantylmethyl(2-phenylsulfanylethyl)amino]-3-nitro-phenyl]sulfonyl-4-(cyclohexen-1-yl)benzamide

Systemtic Name: N-[4-[1-adamantylmethyl(2-phenylsulfanylethyl)amino]-3-nitro-phenyl]sulfonyl-4-(cyclohexen-1-yl)benzamide Openeye Name: N-[4-[1-adamantylmethyl(2-phenylsulfanylethyl)amino]-3-nitro-phenyl]sulfonyl-4-(cyclohexen-1-yl)benzamide CAS Name: N-[4-[1-adamantylmethyl-[2-(phenylthio)ethyl]amino]-3-nitrophenyl]sulfonyl-4-(1-cyclohexenyl)benzamide IUPAC Name: N-[4-[1-adamantylmethyl(2-phenylsulfanylethyl)amino]-3-nitrophenyl]sulfonyl-4-(cyclohexen-1-yl)benzamide Traditional Name: N-[4-[1-adamantylmethyl-[2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-4-(cyclohexen-1-yl)benzamide Formula: C38H43N3O5S2 MolecularWeight: 685.89512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)N(CCSC4=CC=CC=C4)CC56CC7CC(C5)CC(C7)C6)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)N(CCSC4=CC=CC=C4)CC56CC7CC(C5)CC(C7)C6)[N+](=O)[O-]

InChI

InChI=1S/C38H43N3O5S2/c42-37(32-13-11-31(12-14-32)30-7-3-1-4-8-30)39-48(45,46)34-15-16-35(36(22-34)41(43)44)40(17-18-47-33-9-5-2-6-10-33)26-38-23-27-19-28(24-38)21-29(20-27)25-38/h2,5-7,9-16,22,27-29H,1,3-4,8,17-21,23-26H2,(H,39,42)