N-[2-(4-chlorophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)-2-(2-thienylsulfonyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-chlorophenyl)-2-(2-thienylsulfonyl)ethyl]-1-mesyl-isonipecotamide Formula: C19H23ClN2O5S3 MolecularWeight: 491.04432

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NCC(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NCC(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H23ClN2O5S3/c1-29(24,25)22-10-8-15(9-11-22)19(23)21-13-17(14-4-6-16(20)7-5-14)30(26,27)18-3-2-12-28-18/h2-7,12,15,17H,8-11,13H2,1H3,(H,21,23)