N-[(2S)-butan-2-yl]-4-[(1H-pyrrol-2-ylcarbonylamino)carbamoyl]benzenesulfonamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-[(1H-pyrrol-2-ylcarbonylamino)carbamoyl]benzenesulfonamide Openeye Name: N-[(1S)-1-methylpropyl]-4-[(1H-pyrrole-2-carbonylamino)carbamoyl]benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-4-[oxo-[[oxo(1H-pyrrol-2-yl)methyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[(1H-pyrrole-2-carbonylamino)carbamoyl]benzenesulfonamide Traditional Name: N-[(1S)-1-methylpropyl]-4-[(1H-pyrrole-2-carbonylamino)carbamoyl]benzenesulfonamide Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CN2

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CN2

InChI

InChI=1S/C16H20N4O4S/c1-3-11(2)20-25(23,24)13-8-6-12(7-9-13)15(21)18-19-16(22)14-5-4-10-17-14/h4-11,17,20H,3H2,1-2H3,(H,18,21)(H,19,22)/t11-/m0/s1