N-(3-chloranyl-4-methoxy-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Formula: C21H19ClN2O4S2 MolecularWeight: 462.96956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C21H19ClN2O4S2/c1-28-18-7-6-16(12-17(18)22)23-21(25)20-19(9-11-29-20)30(26,27)24-10-8-14-4-2-3-5-15(14)13-24/h2-7,9,11-12H,8,10,13H2,1H3,(H,23,25)