ethyl 4-(cyclohexylamino)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoate

Systemtic Name: ethyl 4-(cyclohexylamino)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoate Openeye Name: ethyl 3-(benzylamino)-4-(cyclohexylamino)-5-sulfamoyl-benzoate CAS Name: 4-(cyclohexylamino)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 3-(benzylamino)-4-(cyclohexylamino)-5-sulfamoylbenzoate Traditional Name: 3-(benzylamino)-4-(cyclohexylamino)-5-sulfamoyl-benzoic acid ethyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)NC2CCCCC2)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)NC2CCCCC2)NCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4S/c1-2-29-22(26)17-13-19(24-15-16-9-5-3-6-10-16)21(20(14-17)30(23,27)28)25-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,18,24-25H,2,4,7-8,11-12,15H2,1H3,(H2,23,27,28)