4-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H20N2O4S/c1-15-7-2-8-16(10-9-15)21(19,20)11-12-3-5-13(6-4-12)14(17)18/h3-6H,2,7-11H2,1H3,(H,17,18)