(3S)-N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O4S2/c1-27-15-8-10-16(11-9-15)29(25,26)23-12-4-5-14(13-23)19(24)22-20-21-17-6-2-3-7-18(17)28-20/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,22,24)/t14-/m0/s1