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

Systemtic Name: 2-[(4-tert-butylphenyl)sulfonyl-prop-2-enyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[allyl-(4-tert-butylphenyl)sulfonyl-amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[(4-tert-butylphenyl)sulfonyl-prop-2-enylamino]-N-[(1-methyl-2-pyrrolyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[allyl-(4-tert-butylphenyl)sulfonyl-amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C28H35N3O3S MolecularWeight: 493.6608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O3S/c1-6-18-31(35(33,34)26-16-14-24(15-17-26)28(2,3)4)22-27(32)30(20-23-11-8-7-9-12-23)21-25-13-10-19-29(25)5/h6-17,19H,1,18,20-22H2,2-5H3