4-(4,4-dimethylcyclohexyl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4,4-dimethylcyclohexyl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(4,4-dimethylcyclohexyl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(4,4-dimethylcyclohexyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(4,4-dimethylcyclohexyl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(4,4-dimethylcyclohexyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C29H33N3O5S2 MolecularWeight: 567.71942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1(CCC(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C29H33N3O5S2/c1-29(2)16-14-22(15-17-29)21-8-10-23(11-9-21)28(33)31-39(36,37)25-12-13-26(27(20-25)32(34)35)30-18-19-38-24-6-4-3-5-7-24/h3-13,20,22,30H,14-19H2,1-2H3,(H,31,33)