N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[(phenylmethyl)sulfonyl-prop-2-enyl-amino]ethanamide

Systemtic Name: N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[(phenylmethyl)sulfonyl-prop-2-enyl-amino]ethanamide Openeye Name: 2-[allyl(benzylsulfonyl)amino]-N-isobutyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-(2-methylpropyl)-N-[(1-methyl-2-pyrrolyl)methyl]-2-[(phenylmethyl)sulfonyl-prop-2-enylamino]acetamide IUPAC Name: 2-[benzylsulfonyl(prop-2-enyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[allyl(benzylsulfonyl)amino]-N-isobutyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CN1C)C(=O)CN(CC=C)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CN(CC1=CC=CN1C)C(=O)CN(CC=C)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H31N3O3S/c1-5-13-25(29(27,28)18-20-10-7-6-8-11-20)17-22(26)24(15-19(2)3)16-21-12-9-14-23(21)4/h5-12,14,19H,1,13,15-18H2,2-4H3