2-methyl-N-[(3S,4S)-1-(4-methylphenyl)sulfonyl-4-(1-thiophen-2-ylethenyl)pyrrolidin-3-yl]propane-2-sulfinamide

Systemtic Name: 2-methyl-N-[(3S,4S)-1-(4-methylphenyl)sulfonyl-4-(1-thiophen-2-ylethenyl)pyrrolidin-3-yl]propane-2-sulfinamide Openeye Name: 2-methyl-N-[(3S,4S)-1-(p-tolylsulfonyl)-4-[1-(2-thienyl)vinyl]pyrrolidin-3-yl]propane-2-sulfinamide CAS Name: 2-methyl-N-[(3S,4S)-1-(4-methylphenyl)sulfonyl-4-(1-thiophen-2-ylethenyl)-3-pyrrolidinyl]-2-propanesulfinamide IUPAC Name: 2-methyl-N-[(3S,4S)-1-(4-methylphenyl)sulfonyl-4-(1-thiophen-2-ylethenyl)pyrrolidin-3-yl]propane-2-sulfinamide Traditional Name: 2-methyl-N-[(3S,4S)-4-[1-(2-thienyl)vinyl]-1-tosyl-pyrrolidin-3-yl]propane-2-sulfinamide Formula: C21H28N2O3S3 MolecularWeight: 452.65362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(C2)NS(=O)C(C)(C)C)C(=C)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]([C@@H](C2)N[S@](=O)C(C)(C)C)C(=C)C3=CC=CS3

InChI

InChI=1S/C21H28N2O3S3/c1-15-8-10-17(11-9-15)29(25,26)23-13-18(16(2)20-7-6-12-27-20)19(14-23)22-28(24)21(3,4)5/h6-12,18-19,22H,2,13-14H2,1,3-5H3/t18-,19-,28-/m1/s1