N-butyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-ethyl-benzamide

Systemtic Name: N-butyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-ethyl-benzamide Openeye Name: N-butyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-ethyl-benzamide CAS Name: N-butyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-ethylbenzamide IUPAC Name: N-butyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-ethylbenzamide Traditional Name: N-butyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-ethyl-benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCN(CC)C(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H28N2O3S/c1-3-5-14-23(4-2)22(25)19-11-8-12-21(16-19)28(26,27)24-15-13-18-9-6-7-10-20(18)17-24/h6-12,16H,3-5,13-15,17H2,1-2H3