4-(phenylsulfonyl)-N-propan-2-yl-butan-1-amine hydrochloride

Systemtic Name: 4-(phenylsulfonyl)-N-propan-2-yl-butan-1-amine hydrochloride Openeye Name: 4-(benzenesulfonyl)-N-isopropyl-butan-1-amine hydrochloride CAS Name: 4-(benzenesulfonyl)-N-propan-2-yl-1-butanamine hydrochloride IUPAC Name: 4-(benzenesulfonyl)-N-propan-2-ylbutan-1-amine hydrochloride Traditional Name: 4-besylbutyl(isopropyl)amine hydrochloride Formula: C13H22ClNO2S MolecularWeight: 291.83728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCCS(=O)(=O)C1=CC=CC=C1.Cl

Isomeric SMILES

CC(C)NCCCCS(=O)(=O)C1=CC=CC=C1.Cl

InChI

InChI=1S/C13H21NO2S.ClH/c1-12(2)14-10-6-7-11-17(15,16)13-8-4-3-5-9-13;/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3;1H