N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C26H27N3O3S3 MolecularWeight: 525.70588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C26H27N3O3S3/c1-18-15-21-23(16-19(18)2)34-26(27-21)28(17-20-9-4-3-5-10-20)25(30)22-11-6-7-13-29(22)35(31,32)24-12-8-14-33-24/h3-5,8-10,12,14-16,22H,6-7,11,13,17H2,1-2H3