N-[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]-1-(3,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CC=CS3)N(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@H](C3=CC=CS3)N(C)C)C

InChI

InChI=1S/C22H31N3O3S2/c1-16-7-8-19(14-17(16)2)30(27,28)25-11-9-18(10-12-25)22(26)23-15-20(24(3)4)21-6-5-13-29-21/h5-8,13-14,18,20H,9-12,15H2,1-4H3,(H,23,26)/t20-/m1/s1