2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid

Systemtic Name: 2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid Openeye Name: 2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid CAS Name: 2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid IUPAC Name: 2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid Traditional Name: 2-methyl-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C)C(=O)O

InChI

InChI=1S/C14H20N2O4S/c1-11-4-5-12(10-13(11)14(17)18)21(19,20)16-7-3-6-15(2)8-9-16/h4-5,10H,3,6-9H2,1-2H3,(H,17,18)