N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C24H24N4O3S3 MolecularWeight: 512.66736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H24N4O3S3/c1-17-6-2-9-20-22(17)26-24(33-20)28(15-18-7-3-11-25-14-18)23(29)19-8-4-12-27(16-19)34(30,31)21-10-5-13-32-21/h2-3,5-7,9-11,13-14,19H,4,8,12,15-16H2,1H3