N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]acetamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]acetamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-2-[(2S)-2-(2-thienyl)pyrrolidino]acetamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCCC2C3=CC=CS3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCC[C@H]2C3=CC=CS3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H29N3O3S2/c1-17-9-10-18(15-21(17)30(27,28)25-12-3-2-4-13-25)23-22(26)16-24-11-5-7-19(24)20-8-6-14-29-20/h6,8-10,14-15,19H,2-5,7,11-13,16H2,1H3,(H,23,26)/t19-/m0/s1