N-[(2S)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2S)-2-(dimethylamino)-2-(2-thienyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(2S)-2-(dimethylamino)-2-(2-thienyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC)C3=CC=CS3

Isomeric SMILES

CN(C)[C@@H](CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC)C3=CC=CS3

InChI

InChI=1S/C21H29N3O4S2/c1-23(2)19(20-5-4-14-29-20)15-22-21(25)16-10-12-24(13-11-16)30(26,27)18-8-6-17(28-3)7-9-18/h4-9,14,16,19H,10-13,15H2,1-3H3,(H,22,25)/t19-/m0/s1