4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-tert-butyl-3-nitro-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O5S/c1-22(2,3)23-32(30,31)18-8-9-19(20(16-18)26(28)29)24-14-10-17(11-15-24)21(27)25-12-6-4-5-7-13-25/h8-9,16-17,23H,4-7,10-15H2,1-3H3