N-(5-tert-butyl-2-methoxy-phenyl)-2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C27H29ClN2O4S MolecularWeight: 513.04816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN2O4S/c1-27(2,3)20-9-12-25(34-4)24(15-20)29-26(31)22-16-21(10-11-23(22)28)35(32,33)30-14-13-18-7-5-6-8-19(18)17-30/h5-12,15-16H,13-14,17H2,1-4H3,(H,29,31)