N-[4-(3-chloranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(3-chloranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(3-chloro-4-methoxy-phenyl)thiazol-2-yl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-(3-chloro-4-methoxyphenyl)-2-thiazolyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(3-chloro-4-methoxy-phenyl)thiazol-2-yl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C20H20ClN3O4S3 MolecularWeight: 498.0385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C20H20ClN3O4S3/c1-28-17-5-4-14(11-15(17)21)16-12-30-20(22-16)23-19(25)13-6-8-24(9-7-13)31(26,27)18-3-2-10-29-18/h2-5,10-13H,6-9H2,1H3,(H,22,23,25)