4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(azepane-1-carbonyl)-1-piperidyl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(azepane-1-carbonyl)piperidino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C22H34N4O5S MolecularWeight: 466.59416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O5S/c1-3-25(4-2)32(30,31)19-9-10-20(21(17-19)26(28)29)23-15-11-18(12-16-23)22(27)24-13-7-5-6-8-14-24/h9-10,17-18H,3-8,11-16H2,1-2H3