N'-[3-(4-nitrophenyl)propanoyl]-N-(phenylsulfonyl)azepane-1-carbohydrazide hydrochloride

Systemtic Name: N'-[3-(4-nitrophenyl)propanoyl]-N-(phenylsulfonyl)azepane-1-carbohydrazide hydrochloride Openeye Name: N-(benzenesulfonyl)-N'-[3-(4-nitrophenyl)propanoyl]azepane-1-carbohydrazide hydrochloride CAS Name: N-(benzenesulfonyl)-N'-[3-(4-nitrophenyl)-1-oxopropyl]-1-azepanecarbohydrazide hydrochloride IUPAC Name: N-(benzenesulfonyl)-N'-[3-(4-nitrophenyl)propanoyl]azepane-1-carbohydrazide hydrochloride Traditional Name: N-besyl-N'-[3-(4-nitrophenyl)propanoyl]azepane-1-carbohydrazide hydrochloride Formula: C22H27ClN4O6S MolecularWeight: 510.99098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)N(NC(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)N(NC(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C22H26N4O6S.ClH/c27-21(15-12-18-10-13-19(14-11-18)26(29)30)23-25(22(28)24-16-6-1-2-7-17-24)33(31,32)20-8-4-3-5-9-20;/h3-5,8-11,13-14H,1-2,6-7,12,15-17H2,(H,23,27);1H