2-methyl-N-(phenylmethyl)-5-[(1H-pyrrol-2-ylcarbonylamino)carbamoyl]benzenesulfonamide

Systemtic Name: 2-methyl-N-(phenylmethyl)-5-[(1H-pyrrol-2-ylcarbonylamino)carbamoyl]benzenesulfonamide Openeye Name: N-benzyl-2-methyl-5-[(1H-pyrrole-2-carbonylamino)carbamoyl]benzenesulfonamide CAS Name: 2-methyl-5-[oxo-[[oxo(1H-pyrrol-2-yl)methyl]hydrazo]methyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-2-methyl-5-[(1H-pyrrole-2-carbonylamino)carbamoyl]benzenesulfonamide Traditional Name: N-benzyl-2-methyl-5-[(1H-pyrrole-2-carbonylamino)carbamoyl]benzenesulfonamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=CN2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=CN2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O4S/c1-14-9-10-16(19(25)23-24-20(26)17-8-5-11-21-17)12-18(14)29(27,28)22-13-15-6-3-2-4-7-15/h2-12,21-22H,13H2,1H3,(H,23,25)(H,24,26)