(3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2-thienylsulfonyl)nipecotamide Formula: C16H22N4O3S3 MolecularWeight: 414.56588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H22N4O3S3/c1-2-3-7-13-18-19-16(25-13)17-15(21)12-6-4-9-20(11-12)26(22,23)14-8-5-10-24-14/h5,8,10,12H,2-4,6-7,9,11H2,1H3,(H,17,19,21)/t12-/m0/s1