4-[3-(1-aminocarbonyl-3,6-dihydro-2H-pyridin-4-yl)-4-methoxy-phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonic acid

Systemtic Name: 4-[3-(1-aminocarbonyl-3,6-dihydro-2H-pyridin-4-yl)-4-methoxy-phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonic acid Openeye Name: 4-[3-(1-carbamoyl-3,6-dihydro-2H-pyridin-4-yl)-4-methoxy-phenyl]-5-chloro-3-methyl-benzothiophene-2-sulfonic acid CAS Name: 4-[3-(1-carbamoyl-3,6-dihydro-2H-pyridin-4-yl)-4-methoxyphenyl]-5-chloro-3-methyl-1-benzothiophene-2-sulfonic acid IUPAC Name: 4-[3-(1-carbamoyl-3,6-dihydro-2H-pyridin-4-yl)-4-methoxyphenyl]-5-chloro-3-methyl-1-benzothiophene-2-sulfonic acid Traditional Name: 4-[3-(1-carbamoyl-3,6-dihydro-2H-pyridin-4-yl)-4-methoxy-phenyl]-5-chloro-3-methyl-benzothiophene-2-sulfonic acid Formula: C22H21ClN2O5S2 MolecularWeight: 492.99554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=C(C=C2)Cl)C3=CC(=C(C=C3)OC)C4=CCN(CC4)C(=O)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=C(C=C2)Cl)C3=CC(=C(C=C3)OC)C4=CCN(CC4)C(=O)N)S(=O)(=O)O

InChI

InChI=1S/C22H21ClN2O5S2/c1-12-19-18(31-21(12)32(27,28)29)6-4-16(23)20(19)14-3-5-17(30-2)15(11-14)13-7-9-25(10-8-13)22(24)26/h3-7,11H,8-10H2,1-2H3,(H2,24,26)(H,27,28,29)