N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C24H24N4O3S3 MolecularWeight: 512.66736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

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