methyl 3-[(4-methylphenyl)sulfonylamino]-5-[(E)-pent-1-enyl]-1-(phenylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl 3-[(4-methylphenyl)sulfonylamino]-5-[(E)-pent-1-enyl]-1-(phenylmethyl)pyrrolidine-2-carboxylate Openeye Name: methyl 1-benzyl-5-[(E)-pent-1-enyl]-3-(p-tolylsulfonylamino)pyrrolidine-2-carboxylate CAS Name: 3-[(4-methylphenyl)sulfonylamino]-5-[(E)-pent-1-enyl]-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-3-[(4-methylphenyl)sulfonylamino]-5-[(E)-pent-1-enyl]pyrrolidine-2-carboxylate Traditional Name: 1-benzyl-5-[(E)-pent-1-enyl]-3-(tosylamino)pyrrolidine-2-carboxylic acid methyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1CC(C(N1CC2=CC=CC=C2)C(=O)OC)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC/C=C/C1CC(C(N1CC2=CC=CC=C2)C(=O)OC)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H32N2O4S/c1-4-5-7-12-21-17-23(26-32(29,30)22-15-13-19(2)14-16-22)24(25(28)31-3)27(21)18-20-10-8-6-9-11-20/h6-16,21,23-24,26H,4-5,17-18H2,1-3H3/b12-7+