N-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]-4-(phenylsulfonylaminomethyl)cyclohexane-1-carboxamide

Systemtic Name: N-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]-4-(phenylsulfonylaminomethyl)cyclohexane-1-carboxamide Openeye Name: 4-(benzenesulfonamidomethyl)-N-[(1S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]cyclohexanecarboxamide CAS Name: 4-(benzenesulfonamidomethyl)-N-[(2S)-1-(4-methyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-(benzenesulfonamidomethyl)-N-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-(benzenesulfonamidomethyl)-N-[(1S)-2-keto-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl]cyclohexanecarboxamide Formula: C22H35N4O4S+ MolecularWeight: 451.6027

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)C)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)C)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H34N4O4S/c1-17(22(28)26-14-12-25(2)13-15-26)24-21(27)19-10-8-18(9-11-19)16-23-31(29,30)20-6-4-3-5-7-20/h3-7,17-19,23H,8-16H2,1-2H3,(H,24,27)/p+1/t17-,18?,19?/m0/s1