[2-(2-methoxyethanoylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate

Systemtic Name: [2-(2-methoxyethanoylamino)-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Openeye Name: [2-[(2-methoxyacetyl)amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate CAS Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[(2-methoxy-1-oxoethyl)amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-[(2-methoxyacetyl)amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Traditional Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[(2-methoxyacetyl)amino]-3H-benzimidazol-5-yl] ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC4CCCC4

Isomeric SMILES

COCC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC4CCCC4

InChI

InChI=1S/C21H24N4O5S/c1-29-13-20(26)25-21-23-18-11-8-16(12-19(18)24-21)30-31(27,28)17-9-6-15(7-10-17)22-14-4-2-3-5-14/h6-12,14,22H,2-5,13H2,1H3,(H2,23,24,25,26)