N-[1-[2-oxidanyl-3-[(phenylmethyl)-(phenylsulfonyl)amino]propyl]pyrrolidin-3-yl]but-3-enamide

Systemtic Name: N-[1-[2-oxidanyl-3-[(phenylmethyl)-(phenylsulfonyl)amino]propyl]pyrrolidin-3-yl]but-3-enamide Openeye Name: N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxy-propyl]pyrrolidin-3-yl]but-3-enamide CAS Name: N-[1-[3-[benzenesulfonyl-(phenylmethyl)amino]-2-hydroxypropyl]-3-pyrrolidinyl]-3-butenamide IUPAC Name: N-[1-[3-[benzenesulfonyl(benzyl)amino]-2-hydroxypropyl]pyrrolidin-3-yl]but-3-enamide Traditional Name: N-[1-[3-[benzyl(besyl)amino]-2-hydroxy-propyl]pyrrolidin-3-yl]but-3-enamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)NC1CCN(C1)CC(CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

C=CCC(=O)NC1CCN(C1)CC(CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C24H31N3O4S/c1-2-9-24(29)25-21-14-15-26(17-21)18-22(28)19-27(16-20-10-5-3-6-11-20)32(30,31)23-12-7-4-8-13-23/h2-8,10-13,21-22,28H,1,9,14-19H2,(H,25,29)