4-(1,6-naphthyridin-2-ylcarbonyl)-N-(phenylsulfonyl)-1,4-diazepane-1-carboxamide hydrochloride

Systemtic Name: 4-(1,6-naphthyridin-2-ylcarbonyl)-N-(phenylsulfonyl)-1,4-diazepane-1-carboxamide hydrochloride Openeye Name: N-(benzenesulfonyl)-4-(1,6-naphthyridine-2-carbonyl)-1,4-diazepane-1-carboxamide hydrochloride CAS Name: N-(benzenesulfonyl)-4-[1,6-naphthyridin-2-yl(oxo)methyl]-1,4-diazepane-1-carboxamide hydrochloride IUPAC Name: N-(benzenesulfonyl)-4-(1,6-naphthyridine-2-carbonyl)-1,4-diazepane-1-carboxamide hydrochloride Traditional Name: N-besyl-4-(1,6-naphthyridine-2-carbonyl)-1,4-diazepane-1-carboxamide hydrochloride Formula: C21H22ClN5O4S MolecularWeight: 475.94848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NS(=O)(=O)C2=CC=CC=C2)C(=O)C3=NC4=C(C=C3)C=NC=C4.Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)NS(=O)(=O)C2=CC=CC=C2)C(=O)C3=NC4=C(C=C3)C=NC=C4.Cl

InChI

InChI=1S/C21H21N5O4S.ClH/c27-20(19-8-7-16-15-22-10-9-18(16)23-19)25-11-4-12-26(14-13-25)21(28)24-31(29,30)17-5-2-1-3-6-17;/h1-3,5-10,15H,4,11-14H2,(H,24,28);1H