N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-1-mesyl-isonipecotamide Formula: C20H24N2O7S3 MolecularWeight: 500.60876

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H24N2O7S3/c1-31(24,25)22-8-6-14(7-9-22)20(23)21-12-18(32(26,27)19-3-2-10-30-19)15-4-5-16-17(11-15)29-13-28-16/h2-5,10-11,14,18H,6-9,12-13H2,1H3,(H,21,23)