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

Systemtic Name: azepan-1-yl-[1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-4-piperidyl]methanone Formula: C23H36N5O5S+ MolecularWeight: 494.62744

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H35N5O5S/c1-24-14-16-27(17-15-24)34(32,33)20-6-7-21(22(18-20)28(30)31)25-12-8-19(9-13-25)23(29)26-10-4-2-3-5-11-26/h6-7,18-19H,2-5,8-17H2,1H3/p+1