4-[5-(methylamino)pentoxy]-3-(phenylsulfonyl)benzenecarbonitrile hydrochloride

Systemtic Name: 4-[5-(methylamino)pentoxy]-3-(phenylsulfonyl)benzenecarbonitrile hydrochloride Openeye Name: 3-(benzenesulfonyl)-4-[5-(methylamino)pentoxy]benzonitrile hydrochloride CAS Name: 3-(benzenesulfonyl)-4-[5-(methylamino)pentoxy]benzonitrile hydrochloride IUPAC Name: 3-(benzenesulfonyl)-4-[5-(methylamino)pentoxy]benzonitrile hydrochloride Traditional Name: 3-besyl-4-[5-(methylamino)pentoxy]benzonitrile hydrochloride Formula: C19H23ClN2O3S MolecularWeight: 394.91552

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCCOC1=C(C=C(C=C1)C#N)S(=O)(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

CNCCCCCOC1=C(C=C(C=C1)C#N)S(=O)(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C19H22N2O3S.ClH/c1-21-12-6-3-7-13-24-18-11-10-16(15-20)14-19(18)25(22,23)17-8-4-2-5-9-17;/h2,4-5,8-11,14,21H,3,6-7,12-13H2,1H3;1H