3-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[[4-(azepan-1-ylmethyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 3-[[4-(1-azepanylmethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(azepan-1-ylmethyl)piperidino]sulfonylbenzoic acid Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CCCN(CC1)CC2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H28N2O4S/c22-19(23)17-6-5-7-18(14-17)26(24,25)21-12-8-16(9-13-21)15-20-10-3-1-2-4-11-20/h5-7,14,16H,1-4,8-13,15H2,(H,22,23)