N-(4-methylcyclohexyl)-3-nitro-4-[(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)amino]benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-3-nitro-4-[(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)amino]benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-3-nitro-4-[(3-oxo-3-pyrrolidin-1-yl-propyl)amino]benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-3-nitro-4-[[3-oxo-3-(1-pyrrolidinyl)propyl]amino]benzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-3-nitro-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide Traditional Name: 4-[(3-keto-3-pyrrolidino-propyl)amino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCCC(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCCC(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H30N4O5S/c1-15-4-6-16(7-5-15)22-30(28,29)17-8-9-18(19(14-17)24(26)27)21-11-10-20(25)23-12-2-3-13-23/h8-9,14-16,21-22H,2-7,10-13H2,1H3