N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(5-chloranylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(5-chloranylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-[(5-chloro-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-[(5-chloro-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-[(5-chloro-2-thienyl)sulfonyl]nipecotamide Formula: C19H19ClN4O4S3 MolecularWeight: 499.02656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C19H19ClN4O4S3/c1-11(25)21-13-4-5-14-15(9-13)29-19(22-14)23-18(26)12-3-2-8-24(10-12)31(27,28)17-7-6-16(20)30-17/h4-7,9,12H,2-3,8,10H2,1H3,(H,21,25)(H,22,23,26)