4-chloranyl-N-[4-(diethylcarbamoyl)phenyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: 4-chloranyl-N-[4-(diethylcarbamoyl)phenyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: 4-chloro-N-[4-(diethylcarbamoyl)phenyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: 4-chloro-N-[4-[diethylamino(oxo)methyl]phenyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[4-(diethylcarbamoyl)phenyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: 4-chloro-N-[4-(diethylcarbamoyl)phenyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C27H28ClN3O4S MolecularWeight: 526.04692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClN3O4S/c1-3-30(4-2)27(33)20-9-12-23(13-10-20)29-26(32)21-11-14-24(28)25(17-21)36(34,35)31-16-15-19-7-5-6-8-22(19)18-31/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,29,32)