(2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid; 3-(1H-pyrrol-2-yl)phenol

Systemtic Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid; 3-(1H-pyrrol-2-yl)phenol Openeye Name: (2S)-2-(p-tolylsulfonylamino)propanoic acid; 3-(1H-pyrrol-2-yl)phenol CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid; 3-(1H-pyrrol-2-yl)phenol IUPAC Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid; 3-(1H-pyrrol-2-yl)phenol Traditional Name: 3-(1H-pyrrol-2-yl)phenol; (2S)-2-(tosylamino)propionic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)O.C1=CC(=CC(=C1)O)C2=CC=CN2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)O.C1=CC(=CC(=C1)O)C2=CC=CN2

InChI

InChI=1S/C10H13NO4S.C10H9NO/c1-7-3-5-9(6-4-7)16(14,15)11-8(2)10(12)13;12-9-4-1-3-8(7-9)10-5-2-6-11-10/h3-6,8,11H,1-2H3,(H,12,13);1-7,11-12H/t8-;/m0./s1