2-(azepan-1-yl)-3-chloranyl-5-piperidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 2-(azepan-1-yl)-3-chloranyl-5-piperidin-1-ylsulfonyl-benzoic acid Openeye Name: 2-(azepan-1-yl)-3-chloro-5-(1-piperidylsulfonyl)benzoic acid CAS Name: 2-(1-azepanyl)-3-chloro-5-(1-piperidinylsulfonyl)benzoic acid IUPAC Name: 2-(azepan-1-yl)-3-chloro-5-piperidin-1-ylsulfonylbenzoic acid Traditional Name: 2-(azepan-1-yl)-3-chloro-5-piperidinosulfonyl-benzoic acid Formula: C18H25ClN2O4S MolecularWeight: 400.9201

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2C(=O)O)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2C(=O)O)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C18H25ClN2O4S/c19-16-13-14(26(24,25)21-10-6-3-7-11-21)12-15(18(22)23)17(16)20-8-4-1-2-5-9-20/h12-13H,1-11H2,(H,22,23)