4-chloranyl-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoyl-benzamide hydrate

Systemtic Name: 4-chloranyl-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoyl-benzamide hydrate Openeye Name: 4-chloro-N-(2-methylindolin-1-yl)-3-sulfamoyl-benzamide hydrate CAS Name: 4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide hydrate IUPAC Name: 4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide hydrate Traditional Name: 4-chloro-N-(2-methylindolin-1-yl)-3-sulfamoyl-benzamide hydrate Formula: C32H34Cl2N6O7S2 MolecularWeight: 749.68436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N.CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N.O

Isomeric SMILES

CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N.CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N.O

InChI

InChI=1S/2C16H16ClN3O3S.H2O/c2*1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23;/h2*2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23);1H2