ethyl 4-[2-methyl-1-(phenylmethyl)-4-(phenylsulfonyl)-2,3-dihydropyrrol-5-yl]butanoate

Systemtic Name: ethyl 4-[2-methyl-1-(phenylmethyl)-4-(phenylsulfonyl)-2,3-dihydropyrrol-5-yl]butanoate Openeye Name: ethyl 4-[4-(benzenesulfonyl)-1-benzyl-2-methyl-2,3-dihydropyrrol-5-yl]butanoate CAS Name: 4-[4-(benzenesulfonyl)-2-methyl-1-(phenylmethyl)-2,3-dihydropyrrol-5-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(benzenesulfonyl)-1-benzyl-2-methyl-2,3-dihydropyrrol-5-yl]butanoate Traditional Name: 4-(1-benzyl-3-besyl-5-methyl-2-pyrrolin-2-yl)butyric acid ethyl ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=C(CC(N1CC2=CC=CC=C2)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCC1=C(CC(N1CC2=CC=CC=C2)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H29NO4S/c1-3-29-24(26)16-10-15-22-23(30(27,28)21-13-8-5-9-14-21)17-19(2)25(22)18-20-11-6-4-7-12-20/h4-9,11-14,19H,3,10,15-18H2,1-2H3