N-prop-2-enyl-3-[(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]benzenesulfonamide

Systemtic Name: N-prop-2-enyl-3-[(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]benzenesulfonamide Openeye Name: N-allyl-3-[4-(pyridine-4-carbonyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: 3-[oxo-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide IUPAC Name: N-prop-2-enyl-3-[4-(pyridine-4-carbonyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-allyl-3-(4-isonicotinoyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC=NC=C3

Isomeric SMILES

C=CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H24N4O4S/c1-2-9-23-30(28,29)19-6-3-5-18(16-19)21(27)25-13-4-12-24(14-15-25)20(26)17-7-10-22-11-8-17/h2-3,5-8,10-11,16,23H,1,4,9,12-15H2