1-[(2R)-2-(azepan-1-ium-1-yl)-3-methyl-butyl]-3-(4-sulfamoylphenyl)urea

Systemtic Name: 1-[(2R)-2-(azepan-1-ium-1-yl)-3-methyl-butyl]-3-(4-sulfamoylphenyl)urea Openeye Name: 1-[(2R)-2-(azepan-1-ium-1-yl)-3-methyl-butyl]-3-(4-sulfamoylphenyl)urea CAS Name: 1-[(2R)-2-(1-azepan-1-iumyl)-3-methylbutyl]-3-(4-sulfamoylphenyl)urea IUPAC Name: 1-[(2R)-2-(azepan-1-ium-1-yl)-3-methylbutyl]-3-(4-sulfamoylphenyl)urea Traditional Name: 1-[(2R)-2-(azepan-1-ium-1-yl)-3-methyl-butyl]-3-(4-sulfamoylphenyl)urea Formula: C18H31N4O3S+ MolecularWeight: 383.52874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+]2CCCCCC2

Isomeric SMILES

CC(C)[C@H](CNC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+]2CCCCCC2

InChI

InChI=1S/C18H30N4O3S/c1-14(2)17(22-11-5-3-4-6-12-22)13-20-18(23)21-15-7-9-16(10-8-15)26(19,24)25/h7-10,14,17H,3-6,11-13H2,1-2H3,(H2,19,24,25)(H2,20,21,23)/p+1/t17-/m0/s1