3-[(4-propan-2-ylphenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(4-propan-2-ylphenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(4-isopropylphenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid CAS Name: 3-[(4-propan-2-ylphenyl)sulfonylamino]-4-(4-propyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(4-propan-2-ylphenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid Traditional Name: 3-(p-cumenylsulfonylamino)-4-(4-propylpiperazino)benzoic acid Formula: C23H31N3O4S MolecularWeight: 445.57494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H31N3O4S/c1-4-11-25-12-14-26(15-13-25)22-10-7-19(23(27)28)16-21(22)24-31(29,30)20-8-5-18(6-9-20)17(2)3/h5-10,16-17,24H,4,11-15H2,1-3H3,(H,27,28)