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

Systemtic Name: N-[(1-methylpyrrol-2-yl)methyl]-2-[[(E)-2-phenylethenyl]sulfonyl-prop-2-enyl-amino]-N-(phenylmethyl)ethanamide Openeye Name: 2-[allyl-[(E)-styryl]sulfonyl-amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-[(1-methyl-2-pyrrolyl)methyl]-2-[[(E)-2-phenylethenyl]sulfonyl-prop-2-enylamino]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[[(E)-2-phenylethenyl]sulfonyl-prop-2-enylamino]acetamide Traditional Name: 2-[allyl-[(E)-styryl]sulfonyl-amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CC=C)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CC=C)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H29N3O3S/c1-3-17-29(33(31,32)19-16-23-11-6-4-7-12-23)22-26(30)28(20-24-13-8-5-9-14-24)21-25-15-10-18-27(25)2/h3-16,18-19H,1,17,20-22H2,2H3/b19-16+