4-[5-(dimethylamino)pentoxy]-3-(phenylsulfonyl)benzoic acid hydrochloride

Systemtic Name: 4-[5-(dimethylamino)pentoxy]-3-(phenylsulfonyl)benzoic acid hydrochloride Openeye Name: 3-(benzenesulfonyl)-4-[5-(dimethylamino)pentoxy]benzoic acid hydrochloride CAS Name: 3-(benzenesulfonyl)-4-[5-(dimethylamino)pentoxy]benzoic acid hydrochloride IUPAC Name: 3-(benzenesulfonyl)-4-[5-(dimethylamino)pentoxy]benzoic acid hydrochloride Traditional Name: 3-besyl-4-[5-(dimethylamino)pentoxy]benzoic acid hydrochloride Formula: C20H26ClNO5S MolecularWeight: 427.94214

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCCOC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

CN(C)CCCCCOC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C20H25NO5S.ClH/c1-21(2)13-7-4-8-14-26-18-12-11-16(20(22)23)15-19(18)27(24,25)17-9-5-3-6-10-17;/h3,5-6,9-12,15H,4,7-8,13-14H2,1-2H3,(H,22,23);1H