1-[(2S,5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-pyrrolidin-2-yl]but-3-en-2-one

Systemtic Name: 1-[(2S,5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-pyrrolidin-2-yl]but-3-en-2-one Openeye Name: 1-[(2S,5R)-5-isopropyl-1-(p-tolylsulfonyl)pyrrolidin-2-yl]but-3-en-2-one CAS Name: 1-[(2S,5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-yl-2-pyrrolidinyl]-3-buten-2-one IUPAC Name: 1-[(2S,5R)-1-(4-methylphenyl)sulfonyl-5-propan-2-ylpyrrolidin-2-yl]but-3-en-2-one Traditional Name: 1-[(2S,5R)-5-isopropyl-1-tosyl-pyrrolidin-2-yl]but-3-en-2-one Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C(C)C)CC(=O)C=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](CC[C@@H]2C(C)C)CC(=O)C=C

InChI

InChI=1S/C18H25NO3S/c1-5-16(20)12-15-8-11-18(13(2)3)19(15)23(21,22)17-9-6-14(4)7-10-17/h5-7,9-10,13,15,18H,1,8,11-12H2,2-4H3/t15-,18+/m0/s1