3-(cyclopropylmethylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(cyclopropylmethylamino)-4-(phenylmethyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-benzyl-3-(cyclopropylmethylamino)-5-sulfamoyl-benzoic acid CAS Name: 3-(cyclopropylmethylamino)-4-(phenylmethyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-benzyl-3-(cyclopropylmethylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-benzyl-3-(cyclopropylmethylamino)-5-sulfamoyl-benzoic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1CC1CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O4S/c19-25(23,24)17-10-14(18(21)22)9-16(20-11-13-6-7-13)15(17)8-12-4-2-1-3-5-12/h1-5,9-10,13,20H,6-8,11H2,(H,21,22)(H2,19,23,24)