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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C19H19ClN4O4S3/c1-11(25)21-12-5-6-13-15(10-12)29-19(22-13)23-18(26)14-4-2-3-9-24(14)31(27,28)17-8-7-16(20)30-17/h5-8,10,14H,2-4,9H2,1H3,(H,21,25)(H,22,23,26)