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

Systemtic Name: 4-(cyclohexen-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(cyclohexen-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(1-cyclohexenyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(cyclohexen-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(cyclohexen-1-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C27H27N3O5S2 MolecularWeight: 537.65038

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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)NCCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)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/C27H27N3O5S2/c31-27(22-13-11-21(12-14-22)20-7-3-1-4-8-20)29-37(34,35)24-15-16-25(26(19-24)30(32)33)28-17-18-36-23-9-5-2-6-10-23/h2,5-7,9-16,19,28H,1,3-4,8,17-18H2,(H,29,31)