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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-benzyl-N-(6-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=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CS5

InChI

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