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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)nipecotamide Formula: C25H25N3O3S3 MolecularWeight: 511.6793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S3/c1-18-8-5-12-21-23(18)26-25(33-21)28(16-19-9-3-2-4-10-19)24(29)20-11-6-14-27(17-20)34(30,31)22-13-7-15-32-22/h2-5,7-10,12-13,15,20H,6,11,14,16-17H2,1H3