N-[4-(7-chloranyl-3,4-dihydroisoquinolin-1-yl)-2-methoxy-phenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide

Systemtic Name: N-[4-(7-chloranyl-3,4-dihydroisoquinolin-1-yl)-2-methoxy-phenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide Openeye Name: N-[4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-2-methoxy-phenyl]-5-isoxazol-3-yl-thiophene-2-sulfonamide CAS Name: N-[4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-2-methoxyphenyl]-5-(3-isoxazolyl)-2-thiophenesulfonamide IUPAC Name: N-[4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-2-methoxyphenyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide Traditional Name: N-[4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-2-methoxy-phenyl]-5-isoxazol-3-yl-thiophene-2-sulfonamide Formula: C23H18ClN3O4S2 MolecularWeight: 499.98972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NCCC3=C2C=C(C=C3)Cl)NS(=O)(=O)C4=CC=C(S4)C5=NOC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NCCC3=C2C=C(C=C3)Cl)NS(=O)(=O)C4=CC=C(S4)C5=NOC=C5

InChI

InChI=1S/C23H18ClN3O4S2/c1-30-20-12-15(23-17-13-16(24)4-2-14(17)8-10-25-23)3-5-18(20)27-33(28,29)22-7-6-21(32-22)19-9-11-31-26-19/h2-7,9,11-13,27H,8,10H2,1H3