N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]ethanamide

Systemtic Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]ethanamide Openeye Name: 2-[allyl(8-quinolylsulfonyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-[(1-methyl-2-pyrrolyl)methyl]-N-(phenylmethyl)-2-[prop-2-enyl(8-quinolinylsulfonyl)amino]acetamide IUPAC Name: N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide Traditional Name: 2-[allyl(8-quinolylsulfonyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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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)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CC=C)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C27H28N4O3S/c1-3-17-31(35(33,34)25-15-7-12-23-13-8-16-28-27(23)25)21-26(32)30(19-22-10-5-4-6-11-22)20-24-14-9-18-29(24)2/h3-16,18H,1,17,19-21H2,2H3