N-[[4-(aminomethyl)phenyl]methyl]-N'-naphthalen-2-ylsulfonyl-azepane-1-carbohydrazide hydrochloride

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-N'-naphthalen-2-ylsulfonyl-azepane-1-carbohydrazide hydrochloride Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-N'-(2-naphthylsulfonyl)azepane-1-carbohydrazide hydrochloride CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-N'-(2-naphthalenylsulfonyl)-1-azepanecarbohydrazide hydrochloride IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-N'-naphthalen-2-ylsulfonylazepane-1-carbohydrazide hydrochloride Traditional Name: N-[4-(aminomethyl)benzyl]-N'-(2-naphthylsulfonyl)azepane-1-carbohydrazide hydrochloride Formula: C25H31ClN4O3S MolecularWeight: 503.05664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)N(CC2=CC=C(C=C2)CN)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)N(CC2=CC=C(C=C2)CN)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.Cl

InChI

InChI=1S/C25H30N4O3S.ClH/c26-18-20-9-11-21(12-10-20)19-29(25(30)28-15-5-1-2-6-16-28)27-33(31,32)24-14-13-22-7-3-4-8-23(22)17-24;/h3-4,7-14,17,27H,1-2,5-6,15-16,18-19,26H2;1H