(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-phenethyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-phenethyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-phenethyl-piperidine-3-carboxamide CAS Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-phenethyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-phenethylpiperidine-3-carboxamide Traditional Name: (3S)-N-phenethyl-1-piazthiol-4-ylsulfonyl-nipecotamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O3S2/c25-20(21-12-11-15-6-2-1-3-7-15)16-8-5-13-24(14-16)29(26,27)18-10-4-9-17-19(18)23-28-22-17/h1-4,6-7,9-10,16H,5,8,11-14H2,(H,21,25)/t16-/m0/s1