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

Systemtic Name: methyl (E)-6-[2-[(4-chlorophenyl)sulfonylamino]-1-phenethyl-pyrrolidin-2-yl]hex-5-enoate Openeye Name: methyl (E)-6-[2-[(4-chlorophenyl)sulfonylamino]-1-phenethyl-pyrrolidin-2-yl]hex-5-enoate CAS Name: (E)-6-[2-[(4-chlorophenyl)sulfonylamino]-1-phenethyl-2-pyrrolidinyl]-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[2-[(4-chlorophenyl)sulfonylamino]-1-phenethylpyrrolidin-2-yl]hex-5-enoate Traditional Name: (E)-6-[2-[(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=CC1(CCCN1CCC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CCC/C=C/C1(CCCN1CCC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H31ClN2O4S/c1-32-24(29)11-6-3-7-17-25(27-33(30,31)23-14-12-22(26)13-15-23)18-8-19-28(25)20-16-21-9-4-2-5-10-21/h2,4-5,7,9-10,12-15,17,27H,3,6,8,11,16,18-20H2,1H3/b17-7+