(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide CAS Name: (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(1-imidazolyl)propyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)nipecotamide Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCN3C=CN=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCCCN3C=CN=C3)OC

InChI

InChI=1S/C20H28N4O5S/c1-28-18-7-6-17(13-19(18)29-2)30(26,27)24-11-3-5-16(14-24)20(25)22-8-4-10-23-12-9-21-15-23/h6-7,9,12-13,15-16H,3-5,8,10-11,14H2,1-2H3,(H,22,25)/t16-/m0/s1