(2S)-N-methyl-1-(4-methylphenyl)sulfonyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-methyl-1-(4-methylphenyl)sulfonyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-allyloxyphenyl)methyl]-N-methyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-methyl-1-(4-methylphenyl)sulfonyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-methyl-1-(4-methylphenyl)sulfonyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-allyloxybenzyl)-N-methyl-1-tosyl-pyrrolidine-2-carboxamide Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C)CC3=CC=C(C=C3)OCC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N(C)CC3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C23H28N2O4S/c1-4-16-29-20-11-9-19(10-12-20)17-24(3)23(26)22-6-5-15-25(22)30(27,28)21-13-7-18(2)8-14-21/h4,7-14,22H,1,5-6,15-17H2,2-3H3/t22-/m0/s1