N-(4-methylcyclohexyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-4-[2-(2-methylthiazol-4-yl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-4-[2-(2-methyl-4-thiazolyl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-4-[2-(2-methylthiazol-4-yl)ethylamino]-3-nitro-benzenesulfonamide Formula: C19H26N4O4S2 MolecularWeight: 438.56414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCCC3=CSC(=N3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCCC3=CSC(=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O4S2/c1-13-3-5-15(6-4-13)22-29(26,27)17-7-8-18(19(11-17)23(24)25)20-10-9-16-12-28-14(2)21-16/h7-8,11-13,15,20,22H,3-6,9-10H2,1-2H3