(3S)-N-(4-acetamidophenyl)-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-acetamidophenyl)-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-acetamidophenyl)-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-acetamidophenyl)-1-[(1-ethyl-3-methyl-4-pyrazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-acetamidophenyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-acetamidophenyl)-1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-nipecotamide Formula: C20H27N5O4S MolecularWeight: 433.52448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H27N5O4S/c1-4-24-13-19(14(2)23-24)30(28,29)25-11-5-6-16(12-25)20(27)22-18-9-7-17(8-10-18)21-15(3)26/h7-10,13,16H,4-6,11-12H2,1-3H3,(H,21,26)(H,22,27)/t16-/m0/s1