ethyl 1-[[2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(benzenesulfonamido)-1,3-benzothiazole-6-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(benzenesulfonamido)-1,3-benzothiazole-6-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazole-6-carbonyl]nipecotic acid ethyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O5S2/c1-2-30-21(27)16-7-6-12-25(14-16)20(26)15-10-11-18-19(13-15)31-22(23-18)24-32(28,29)17-8-4-3-5-9-17/h3-5,8-11,13,16H,2,6-7,12,14H2,1H3,(H,23,24)