4-(4-tert-butylcyclohexyl)-N-[4-(cyclohexylamino)-3-nitro-phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4-tert-butylcyclohexyl)-N-[4-(cyclohexylamino)-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(4-tert-butylcyclohexyl)-N-[4-(cyclohexylamino)-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(4-tert-butylcyclohexyl)-N-[4-(cyclohexylamino)-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(4-tert-butylcyclohexyl)-N-[4-(cyclohexylamino)-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(4-tert-butylcyclohexyl)-N-[4-(cyclohexylamino)-3-nitro-phenyl]sulfonyl-benzamide Formula: C29H39N3O5S MolecularWeight: 541.70206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C29H39N3O5S/c1-29(2,3)23-15-13-21(14-16-23)20-9-11-22(12-10-20)28(33)31-38(36,37)25-17-18-26(27(19-25)32(34)35)30-24-7-5-4-6-8-24/h9-12,17-19,21,23-24,30H,4-8,13-16H2,1-3H3,(H,31,33)