4-[4-chloranyl-3-(phenylmethyl)phenyl]-4-oxidanylidene-butanoic acid; (sulfinoamino)methane

Systemtic Name: 4-[4-chloranyl-3-(phenylmethyl)phenyl]-4-oxidanylidene-butanoic acid; (sulfinoamino)methane Openeye Name: 4-(3-benzyl-4-chloro-phenyl)-4-oxo-butanoic acid; (sulfinoamino)methane CAS Name: 4-[4-chloro-3-(phenylmethyl)phenyl]-4-oxobutanoic acid; (sulfinoamino)methane IUPAC Name: 4-(3-benzyl-4-chlorophenyl)-4-oxobutanoic acid; (sulfinoamino)methane Traditional Name: 4-(3-benzyl-4-chloro-phenyl)-4-keto-butyric acid; (sulfinoamino)methane Formula: C18H20ClNO5S MolecularWeight: 397.8731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)O.C1=CC=C(C=C1)CC2=C(C=CC(=C2)C(=O)CCC(=O)O)Cl

Isomeric SMILES

CNS(=O)O.C1=CC=C(C=C1)CC2=C(C=CC(=C2)C(=O)CCC(=O)O)Cl

InChI

InChI=1S/C17H15ClO3.CH5NO2S/c18-15-7-6-13(16(19)8-9-17(20)21)11-14(15)10-12-4-2-1-3-5-12;1-2-5(3)4/h1-7,11H,8-10H2,(H,20,21);2H,1H3,(H,3,4)