1-[[4-(aminomethyl)phenyl]methyl]-3-cycloheptyl-1-(naphthalen-2-ylsulfonylamino)urea hydrochloride

Systemtic Name: 1-[[4-(aminomethyl)phenyl]methyl]-3-cycloheptyl-1-(naphthalen-2-ylsulfonylamino)urea hydrochloride Openeye Name: 1-[[4-(aminomethyl)phenyl]methyl]-3-cycloheptyl-1-(2-naphthylsulfonylamino)urea hydrochloride CAS Name: 1-[[4-(aminomethyl)phenyl]methyl]-3-cycloheptyl-1-(2-naphthalenylsulfonylamino)urea hydrochloride IUPAC Name: 1-[[4-(aminomethyl)phenyl]methyl]-3-cycloheptyl-1-(naphthalen-2-ylsulfonylamino)urea hydrochloride Traditional Name: 1-[4-(aminomethyl)benzyl]-3-cycloheptyl-1-(2-naphthylsulfonylamino)urea hydrochloride Formula: C26H33ClN4O3S MolecularWeight: 517.08322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)N(CC2=CC=C(C=C2)CN)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.Cl

Isomeric SMILES

C1CCCC(CC1)NC(=O)N(CC2=CC=C(C=C2)CN)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3.Cl

InChI

InChI=1S/C26H32N4O3S.ClH/c27-18-20-11-13-21(14-12-20)19-30(26(31)28-24-9-3-1-2-4-10-24)29-34(32,33)25-16-15-22-7-5-6-8-23(22)17-25;/h5-8,11-17,24,29H,1-4,9-10,18-19,27H2,(H,28,31);1H