2-azanyl-N-[(E)-1-phenyl-4-(phenylsulfonyl)but-3-en-2-yl]ethanamide hydrochloride

Systemtic Name: 2-azanyl-N-[(E)-1-phenyl-4-(phenylsulfonyl)but-3-en-2-yl]ethanamide hydrochloride Openeye Name: 2-amino-N-[(E)-3-(benzenesulfonyl)-1-benzyl-allyl]acetamide hydrochloride CAS Name: 2-amino-N-[(E)-4-(benzenesulfonyl)-1-phenylbut-3-en-2-yl]acetamide hydrochloride IUPAC Name: 2-amino-N-[(E)-4-(benzenesulfonyl)-1-phenylbut-3-en-2-yl]acetamide hydrochloride Traditional Name: 2-amino-N-[(E)-1-benzyl-3-besyl-allyl]acetamide hydrochloride Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C=CS(=O)(=O)C2=CC=CC=C2)NC(=O)CN.Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S.ClH/c19-14-18(21)20-16(13-15-7-3-1-4-8-15)11-12-24(22,23)17-9-5-2-6-10-17;/h1-12,16H,13-14,19H2,(H,20,21);1H/b12-11+;