azepan-1-yl-[1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]-4-piperidyl]methanone Formula: C24H36N4O5S MolecularWeight: 492.63144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H36N4O5S/c1-19-8-16-27(17-9-19)34(32,33)21-6-7-22(23(18-21)28(30)31)25-14-10-20(11-15-25)24(29)26-12-4-2-3-5-13-26/h6-7,18-20H,2-5,8-17H2,1H3