(3S)-1-(4-chlorophenyl)carbonyl-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-chlorobenzoyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorobenzoyl)-N-(4-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorobenzoyl)-N-(4-methyl-1,3-benzothiazol-2-yl)nipecotamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@H]3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-13-4-2-6-17-18(13)23-21(28-17)24-19(26)15-5-3-11-25(12-15)20(27)14-7-9-16(22)10-8-14/h2,4,6-10,15H,3,5,11-12H2,1H3,(H,23,24,26)/t15-/m0/s1