4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide CAS Name: 4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Formula: C21H29N5O4S2 MolecularWeight: 479.61606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4CC4)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4CC4)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O4S2/c1-13(2)20-22-23-21(25(20)16-8-9-16)31-19-11-10-17(12-18(19)26(27)28)32(29,30)24-15-6-4-14(3)5-7-15/h10-16,24H,4-9H2,1-3H3