2-azanyl-3-(5-methoxy-5-oxidanylidene-pentoxy)-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid

Systemtic Name: 2-azanyl-3-(5-methoxy-5-oxidanylidene-pentoxy)-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid Openeye Name: 2-amino-5-benzyl-3-(5-methoxy-5-oxo-pentoxy)-4-(4-methoxyphenyl)sulfonyl-benzoic acid CAS Name: 2-amino-3-(5-methoxy-5-oxopentoxy)-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-5-benzyl-3-(5-methoxy-5-oxopentoxy)-4-(4-methoxyphenyl)sulfonylbenzoic acid Traditional Name: 2-amino-5-benzyl-3-(5-keto-5-methoxy-pentoxy)-4-(4-methoxyphenyl)sulfonyl-benzoic acid Formula: C27H29NO8S MolecularWeight: 527.58606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2OCCCCC(=O)OC)N)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2OCCCCC(=O)OC)N)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C27H29NO8S/c1-34-20-11-13-21(14-12-20)37(32,33)26-19(16-18-8-4-3-5-9-18)17-22(27(30)31)24(28)25(26)36-15-7-6-10-23(29)35-2/h3-5,8-9,11-14,17H,6-7,10,15-16,28H2,1-2H3,(H,30,31)