N-(4-methylcyclohexyl)-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-3-nitro-benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-3-nitro-benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-3-nitro-benzenesulfonamide Formula: C20H29N5O4S MolecularWeight: 435.54036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCCCC3=C(NN=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCCCC3=C(NN=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O4S/c1-14-5-7-17(8-6-14)24-30(28,29)18-9-10-19(20(12-18)25(26)27)21-11-3-4-16-13-22-23-15(16)2/h9-10,12-14,17,21,24H,3-8,11H2,1-2H3,(H,22,23)