N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C21H25N3O3S3 MolecularWeight: 463.6365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N3O3S3/c1-15-10-11-20(28-15)30(26,27)24-13-5-6-16(14-24)21(25)22-12-4-9-19-23-17-7-2-3-8-18(17)29-19/h2-3,7-8,10-11,16H,4-6,9,12-14H2,1H3,(H,22,25)