4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[4-(azepane-1-carbonyl)-1-piperidyl]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[4-(azepane-1-carbonyl)piperidino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C21H32N4O5S MolecularWeight: 452.56758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O5S/c1-16(2)22-31(29,30)18-7-8-19(20(15-18)25(27)28)23-13-9-17(10-14-23)21(26)24-11-5-3-4-6-12-24/h7-8,15-17,22H,3-6,9-14H2,1-2H3