2-chloranyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzoic acid; propan-2-ol

Systemtic Name: 2-chloranyl-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzoic acid; propan-2-ol Openeye Name: 2-chloro-5-[[4-(1-piperidyl)phenyl]sulfamoyl]benzoic acid; propan-2-ol CAS Name: 2-chloro-5-[[4-(1-piperidinyl)phenyl]sulfamoyl]benzoic acid; 2-propanol IUPAC Name: 2-chloro-5-[(4-piperidin-1-ylphenyl)sulfamoyl]benzoic acid; propan-2-ol Traditional Name: 2-chloro-5-[(4-piperidinophenyl)sulfamoyl]benzoic acid; propan-2-ol Formula: C21H27ClN2O5S MolecularWeight: 454.96748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.C1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(C)O.C1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H19ClN2O4S.C3H8O/c19-17-9-8-15(12-16(17)18(22)23)26(24,25)20-13-4-6-14(7-5-13)21-10-2-1-3-11-21;1-3(2)4/h4-9,12,20H,1-3,10-11H2,(H,22,23);3-4H,1-2H3