N-[(S)-cyclopropyl(phenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(S)-cyclopropyl(phenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(S)-cyclopropyl(phenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(S)-cyclopropyl(phenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(S)-cyclopropyl(phenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(S)-cyclopropyl(phenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C3CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N2O4S/c1-29-20-9-11-21(12-10-20)30(27,28)25-15-13-19(14-16-25)23(26)24-22(18-7-8-18)17-5-3-2-4-6-17/h2-6,9-12,18-19,22H,7-8,13-16H2,1H3,(H,24,26)/t22-/m1/s1