[2-[aminocarbonyl(methyl)amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate

Systemtic Name: [2-[aminocarbonyl(methyl)amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Openeye Name: [2-[carbamoyl(methyl)amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate CAS Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[carbamoyl(methyl)amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-[carbamoyl(methyl)amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Traditional Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[carbamoyl(methyl)amino]-3H-benzimidazol-5-yl] ester Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC4CCCC4)C(=O)N

Isomeric SMILES

CN(C1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC4CCCC4)C(=O)N

InChI

InChI=1S/C20H23N5O4S/c1-25(19(21)26)20-23-17-11-8-15(12-18(17)24-20)29-30(27,28)16-9-6-14(7-10-16)22-13-4-2-3-5-13/h6-13,22H,2-5H2,1H3,(H2,21,26)(H,23,24)