N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(1S)-1-(2-hydroxyethylcarbamoyl)-3-methyl-butyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[(1S)-1-(2-hydroxyethylcarbamoyl)-3-methyl-butyl]isonipecotamide Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCO)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCO)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H31N3O5S/c1-15(2)14-18(20(26)21-10-13-24)22-19(25)16-8-11-23(12-9-16)29(27,28)17-6-4-3-5-7-17/h3-7,15-16,18,24H,8-14H2,1-2H3,(H,21,26)(H,22,25)/t18-/m0/s1