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

Systemtic Name: methyl (E)-6-[4-[(4-methylphenyl)sulfonylamino]-1-(phenylmethyl)pyrrolidin-2-yl]hex-5-enoate Openeye Name: methyl (E)-6-[1-benzyl-4-(p-tolylsulfonylamino)pyrrolidin-2-yl]hex-5-enoate CAS Name: (E)-6-[4-[(4-methylphenyl)sulfonylamino]-1-(phenylmethyl)-2-pyrrolidinyl]-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[1-benzyl-4-[(4-methylphenyl)sulfonylamino]pyrrolidin-2-yl]hex-5-enoate Traditional Name: (E)-6-[1-benzyl-4-(tosylamino)pyrrolidin-2-yl]hex-5-enoic acid methyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CC(N(C2)CC3=CC=CC=C3)C=CCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2CC(N(C2)CC3=CC=CC=C3)/C=C/CCCC(=O)OC

InChI

InChI=1S/C25H32N2O4S/c1-20-13-15-24(16-14-20)32(29,30)26-22-17-23(11-7-4-8-12-25(28)31-2)27(19-22)18-21-9-5-3-6-10-21/h3,5-7,9-11,13-16,22-23,26H,4,8,12,17-19H2,1-2H3/b11-7+