2-azanyl-6-(4-methoxyphenyl)sulfonyl-3-methyl-5-[(E)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-4-(pyridin-3-ylmethyl)benzoic acid

Systemtic Name: 2-azanyl-6-(4-methoxyphenyl)sulfonyl-3-methyl-5-[(E)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-4-(pyridin-3-ylmethyl)benzoic acid Openeye Name: 2-amino-6-(4-methoxyphenyl)sulfonyl-3-methyl-5-[(E)-3-morpholino-3-oxo-prop-1-enyl]-4-(3-pyridylmethyl)benzoic acid CAS Name: 2-amino-6-(4-methoxyphenyl)sulfonyl-3-methyl-5-[(E)-3-(4-morpholinyl)-3-oxoprop-1-enyl]-4-(3-pyridinylmethyl)benzoic acid IUPAC Name: 2-amino-6-(4-methoxyphenyl)sulfonyl-3-methyl-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-4-(pyridin-3-ylmethyl)benzoic acid Traditional Name: 2-amino-5-[(E)-3-keto-3-morpholino-prop-1-enyl]-6-(4-methoxyphenyl)sulfonyl-3-methyl-4-(3-pyridylmethyl)benzoic acid Formula: C28H29N3O7S MolecularWeight: 551.61076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CC2=CN=CC=C2)C=CC(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O)N

Isomeric SMILES

CC1=C(C(=C(C(=C1CC2=CN=CC=C2)/C=C/C(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O)N

InChI

InChI=1S/C28H29N3O7S/c1-18-23(16-19-4-3-11-30-17-19)22(9-10-24(32)31-12-14-38-15-13-31)27(25(26(18)29)28(33)34)39(35,36)21-7-5-20(37-2)6-8-21/h3-11,17H,12-16,29H2,1-2H3,(H,33,34)/b10-9+