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

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonyl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-thiophen-2-ylsulfonylethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-(2-thienylsulfonyl)ethyl]-1-mesyl-isonipecotamide Formula: C21H29N3O5S3 MolecularWeight: 499.66706

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H29N3O5S3/c1-23(2)18-8-6-16(7-9-18)19(32(28,29)20-5-4-14-30-20)15-22-21(25)17-10-12-24(13-11-17)31(3,26)27/h4-9,14,17,19H,10-13,15H2,1-3H3,(H,22,25)