methyl (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-phenethyl-pyrrolidin-2-yl]hex-5-enoate

Systemtic Name: methyl (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-phenethyl-pyrrolidin-2-yl]hex-5-enoate Openeye Name: methyl (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-phenethyl-pyrrolidin-2-yl]hex-5-enoate CAS Name: (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-phenethyl-2-pyrrolidinyl]-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-phenethylpyrrolidin-2-yl]hex-5-enoate Traditional Name: (E)-6-[4-[(4-chlorophenyl)sulfonylamino]-1-phenethyl-pyrrolidin-2-yl]hex-5-enoic acid methyl ester Formula: C25H31ClN2O4S MolecularWeight: 491.04264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CC1CC(CN1CCC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CCC/C=C/C1CC(CN1CCC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H31ClN2O4S/c1-32-25(29)11-7-3-6-10-23-18-22(19-28(23)17-16-20-8-4-2-5-9-20)27-33(30,31)24-14-12-21(26)13-15-24/h2,4-6,8-10,12-15,22-23,27H,3,7,11,16-19H2,1H3/b10-6+