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

Systemtic Name: N-(4-methylcyclohexyl)-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-4-[methyl(3-pyridylmethyl)amino]-3-nitro-benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-4-[methyl(3-pyridinylmethyl)amino]-3-nitrobenzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-4-[methyl(3-pyridylmethyl)amino]-3-nitro-benzenesulfonamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-15-5-7-17(8-6-15)22-29(27,28)18-9-10-19(20(12-18)24(25)26)23(2)14-16-4-3-11-21-13-16/h3-4,9-13,15,17,22H,5-8,14H2,1-2H3