1-[(2S)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-N-benzyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-benzylpiperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(1S)-2-(4-besylpiperazino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H34N4O4S/c1-21(28-14-12-23(13-15-28)25(31)27-20-22-8-4-2-5-9-22)26(32)29-16-18-30(19-17-29)35(33,34)24-10-6-3-7-11-24/h2-11,21,23H,12-20H2,1H3,(H,27,31)/p+1/t21-/m0/s1