N-(4-methylcyclohexyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-4-[methyl-[2-(2-pyridyl)ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-4-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-3-nitrobenzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-4-[methyl-[2-(2-pyridyl)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N(C)CCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N(C)CCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O4S/c1-16-6-8-18(9-7-16)23-30(28,29)19-10-11-20(21(15-19)25(26)27)24(2)14-12-17-5-3-4-13-22-17/h3-5,10-11,13,15-16,18,23H,6-9,12,14H2,1-2H3