N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[4-[(2S)-butan-2-yl]phenyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[4-[(2S)-butan-2-yl]phenyl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-3-18(2)19-9-11-20(12-10-19)23-22(26)17-24-13-15-25(16-14-24)29(27,28)21-7-5-4-6-8-21/h4-12,18H,3,13-17H2,1-2H3,(H,23,26)/p+1/t18-/m0/s1