2-azanyl-5-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)benzoic acid

Systemtic Name: 2-azanyl-5-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)benzoic acid Openeye Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-4-(3-pyridylmethyl)-3-(pyrrolidin-1-ylmethyl)benzoic acid CAS Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-4-(3-pyridinylmethyl)-3-(1-pyrrolidinylmethyl)benzoic acid IUPAC Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)benzoic acid Traditional Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-4-(3-pyridylmethyl)-3-(pyrrolidinomethyl)benzoic acid Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C(=C2)C(=O)O)N)CN3CCCC3)CC4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C(=C2)C(=O)O)N)CN3CCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C25H27N3O5S/c1-33-18-6-8-19(9-7-18)34(31,32)23-14-21(25(29)30)24(26)22(16-28-11-2-3-12-28)20(23)13-17-5-4-10-27-15-17/h4-10,14-15H,2-3,11-13,16,26H2,1H3,(H,29,30)