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

Systemtic Name: N-[(2S)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]-4-(phenylsulfonylaminomethyl)cyclohexane-1-carboxamide Openeye Name: 4-(benzenesulfonamidomethyl)-N-[(1S)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethyl]cyclohexanecarboxamide CAS Name: 4-(benzenesulfonamidomethyl)-N-[(2S)-1-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-1-oxopropan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-(benzenesulfonamidomethyl)-N-[(2S)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-(benzenesulfonamidomethyl)-N-[(1S)-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-keto-1-methyl-ethyl]cyclohexanecarboxamide Formula: C23H37N4O5S+ MolecularWeight: 481.62868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O5S/c1-18(23(30)27-13-11-26(12-14-27)15-16-28)25-22(29)20-9-7-19(8-10-20)17-24-33(31,32)21-5-3-2-4-6-21/h2-6,18-20,24,28H,7-17H2,1H3,(H,25,29)/p+1/t18-,19?,20?/m0/s1