3-aminocarbonyl-5-(azepan-1-ylcarbonyl)benzenesulfonic acid

Systemtic Name: 3-aminocarbonyl-5-(azepan-1-ylcarbonyl)benzenesulfonic acid Openeye Name: 3-(azepane-1-carbonyl)-5-carbamoyl-benzenesulfonic acid CAS Name: 3-[1-azepanyl(oxo)methyl]-5-carbamoylbenzenesulfonic acid IUPAC Name: 3-(azepane-1-carbonyl)-5-carbamoylbenzenesulfonic acid Traditional Name: 3-(azepane-1-carbonyl)-5-carbamoyl-besylic acid Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC(=C2)S(=O)(=O)O)C(=O)N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC(=C2)S(=O)(=O)O)C(=O)N

InChI

InChI=1S/C14H18N2O5S/c15-13(17)10-7-11(9-12(8-10)22(19,20)21)14(18)16-5-3-1-2-4-6-16/h7-9H,1-6H2,(H2,15,17)(H,19,20,21)