N-[(3S)-1-(3-chloranyl-2-methyl-phenyl)sulfonylpiperidin-3-yl]-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-[(3S)-1-(3-chloranyl-2-methyl-phenyl)sulfonylpiperidin-3-yl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[(3S)-1-(3-chloro-2-methyl-phenyl)sulfonyl-3-piperidyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-piperidinyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[(3S)-1-(3-chloro-2-methyl-phenyl)sulfonyl-3-piperidyl]isonipecotamide Formula: C20H28ClN3O4S MolecularWeight: 441.97202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCCC(C2)NC(=O)C3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)N2CCC[C@@H](C2)NC(=O)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C20H28ClN3O4S/c1-14-18(21)6-3-7-19(14)29(27,28)24-10-4-5-17(13-24)22-20(26)16-8-11-23(12-9-16)15(2)25/h3,6-7,16-17H,4-5,8-13H2,1-2H3,(H,22,26)/t17-/m0/s1