N-(2-azanylethyl)-N-(4-methylphenyl)sulfonyl-2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]ethanamide

Systemtic Name: N-(2-azanylethyl)-N-(4-methylphenyl)sulfonyl-2-[3-(2-methylpropyl)-2-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]ethanamide Openeye Name: N-(2-aminoethyl)-2-(3-isobutyl-2-oxo-1-phenethyl-pyrrolidin-3-yl)-N-(p-tolylsulfonyl)acetamide CAS Name: N-(2-aminoethyl)-N-(4-methylphenyl)sulfonyl-2-[3-(2-methylpropyl)-2-oxo-1-phenethyl-3-pyrrolidinyl]acetamide IUPAC Name: N-(2-aminoethyl)-N-(4-methylphenyl)sulfonyl-2-[3-(2-methylpropyl)-2-oxo-1-phenethylpyrrolidin-3-yl]acetamide Traditional Name: N-(2-aminoethyl)-2-(3-isobutyl-2-keto-1-phenethyl-pyrrolidin-3-yl)-N-tosyl-acetamide Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCN)C(=O)CC2(CCN(C2=O)CCC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCN)C(=O)CC2(CCN(C2=O)CCC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C27H37N3O4S/c1-21(2)19-27(14-17-29(26(27)32)16-13-23-7-5-4-6-8-23)20-25(31)30(18-15-28)35(33,34)24-11-9-22(3)10-12-24/h4-12,21H,13-20,28H2,1-3H3