2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-5-nitro-benzenesulfonamide Openeye Name: 2-[4-(azepane-1-carbonyl)-1-piperidyl]-5-nitro-benzenesulfonamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-5-nitrobenzenesulfonamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidino]-5-nitro-benzenesulfonamide Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C18H26N4O5S/c19-28(26,27)17-13-15(22(24)25)5-6-16(17)20-11-7-14(8-12-20)18(23)21-9-3-1-2-4-10-21/h5-6,13-14H,1-4,7-12H2,(H2,19,26,27)