N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-tosyl-isonipecotamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O3S2/c1-15-6-8-17(9-7-15)29(26,27)24-12-10-16(11-13-24)21(25)22-14-20-23-18-4-2-3-5-19(18)28-20/h2-9,16H,10-14H2,1H3,(H,22,25)