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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(pivaloylamino)phenyl]benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H29N3O4S/c1-27(2,3)26(32)29-23-12-7-11-22(17-23)28-25(31)20-10-6-13-24(16-20)35(33,34)30-15-14-19-8-4-5-9-21(19)18-30/h4-13,16-17H,14-15,18H2,1-3H3,(H,28,31)(H,29,32)