N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C24H25N3O4S2 MolecularWeight: 483.603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(S3)CCC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(S3)CCC5=CC=CC=C54

InChI

InChI=1S/C24H25N3O4S2/c1-31-18-9-11-19(12-10-18)33(29,30)27-14-4-6-17(15-27)23(28)26-24-25-22-20-7-3-2-5-16(20)8-13-21(22)32-24/h2-3,5,7,9-12,17H,4,6,8,13-15H2,1H3,(H,25,26,28)