1-[2-[5-(dimethylsulfamoyl)benzotriazol-1-yl]ethyl]-3-(4-methoxyphenyl)urea

Systemtic Name: 1-[2-[5-(dimethylsulfamoyl)benzotriazol-1-yl]ethyl]-3-(4-methoxyphenyl)urea Openeye Name: 1-[2-[5-(dimethylsulfamoyl)benzotriazol-1-yl]ethyl]-3-(4-methoxyphenyl)urea CAS Name: 1-[2-[5-(dimethylsulfamoyl)-1-benzotriazolyl]ethyl]-3-(4-methoxyphenyl)urea IUPAC Name: 1-[2-[5-(dimethylsulfamoyl)benzotriazol-1-yl]ethyl]-3-(4-methoxyphenyl)urea Traditional Name: 1-[2-[5-(dimethylsulfamoyl)benzotriazol-1-yl]ethyl]-3-(4-methoxyphenyl)urea Formula: C18H22N6O4S MolecularWeight: 418.47008

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N(N=N2)CCNC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N(N=N2)CCNC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H22N6O4S/c1-23(2)29(26,27)15-8-9-17-16(12-15)21-22-24(17)11-10-19-18(25)20-13-4-6-14(28-3)7-5-13/h4-9,12H,10-11H2,1-3H3,(H2,19,20,25)