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

Systemtic Name: 4-[2-hydroxyethyl(methyl)amino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[2-hydroxyethyl(methyl)amino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide CAS Name: 4-[2-hydroxyethyl(methyl)amino]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-hydroxyethyl(methyl)amino]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[2-hydroxyethyl(methyl)amino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Formula: C16H25N3O5S MolecularWeight: 371.4518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O5S/c1-12-3-5-13(6-4-12)17-25(23,24)14-7-8-15(18(2)9-10-20)16(11-14)19(21)22/h7-8,11-13,17,20H,3-6,9-10H2,1-2H3