2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[allyl(p-tolylsulfonyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-N-[(1-methyl-2-pyrrolyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[allyl(tosyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CN3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CN3C

InChI

InChI=1S/C25H29N3O3S/c1-4-16-28(32(30,31)24-14-12-21(2)13-15-24)20-25(29)27(18-22-9-6-5-7-10-22)19-23-11-8-17-26(23)3/h4-15,17H,1,16,18-20H2,2-3H3