2-[(E)-2-azanyl-5-phenyl-pent-4-en-2-yl]oxy-3-methylsulfonyl-benzoic acid

Systemtic Name: 2-[(E)-2-azanyl-5-phenyl-pent-4-en-2-yl]oxy-3-methylsulfonyl-benzoic acid Openeye Name: 2-[(E)-1-amino-1-methyl-4-phenyl-but-3-enoxy]-3-methylsulfonyl-benzoic acid CAS Name: 2-[(E)-2-amino-5-phenylpent-4-en-2-yl]oxy-3-methylsulfonylbenzoic acid IUPAC Name: 2-[(E)-2-amino-5-phenylpent-4-en-2-yl]oxy-3-methylsulfonylbenzoic acid Traditional Name: 2-[(E)-1-amino-1-methyl-4-phenyl-but-3-enoxy]-3-mesyl-benzoic acid Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CC1=CC=CC=C1)(N)OC2=C(C=CC=C2S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C/C=C/C1=CC=CC=C1)(N)OC2=C(C=CC=C2S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C19H21NO5S/c1-19(20,13-7-10-14-8-4-3-5-9-14)25-17-15(18(21)22)11-6-12-16(17)26(2,23)24/h3-12H,13,20H2,1-2H3,(H,21,22)/b10-7+