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

Systemtic Name: N-butyl-2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-ethyl-benzamide Openeye Name: N-butyl-2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-ethyl-benzamide CAS Name: N-butyl-2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-ethylbenzamide IUPAC Name: N-butyl-2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-ethylbenzamide Traditional Name: N-butyl-2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-ethyl-benzamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O3S/c1-3-5-13-24(4-2)22(26)20-15-19(10-11-21(20)23)29(27,28)25-14-12-17-8-6-7-9-18(17)16-25/h6-11,15H,3-5,12-14,16H2,1-2H3