4-methoxy-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid

Systemtic Name: 4-methoxy-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid Openeye Name: 4-methoxy-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid CAS Name: 4-methoxy-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid IUPAC Name: 4-methoxy-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid Traditional Name: 4-methoxy-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid Formula: C14H20N2O5S MolecularWeight: 328.384

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C14H20N2O5S/c1-15-6-3-7-16(9-8-15)22(19,20)13-10-11(14(17)18)4-5-12(13)21-2/h4-5,10H,3,6-9H2,1-2H3,(H,17,18)