N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[2-[1-(p-tolylsulfonyl)-2-piperidyl]ethyl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[2-[1-(4-methylphenyl)sulfonyl-2-piperidinyl]ethyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[2-(1-tosyl-2-piperidyl)ethyl]-1,3-benzothiazole-2-carboxamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O3S2/c1-16-9-11-18(12-10-16)30(27,28)25-15-5-4-6-17(25)13-14-23-21(26)22-24-19-7-2-3-8-20(19)29-22/h2-3,7-12,17H,4-6,13-15H2,1H3,(H,23,26)