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

Systemtic Name: 4-butoxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]benzamide Openeye Name: 4-butoxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]benzamide CAS Name: 4-butoxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]benzamide IUPAC Name: 4-butoxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]benzamide Traditional Name: 4-butoxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]benzamide Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C23H30N2O4S/c1-2-3-16-29-22-11-9-20(10-12-22)23(26)24-14-6-17-30(27,28)25-15-13-19-7-4-5-8-21(19)18-25/h4-5,7-12H,2-3,6,13-18H2,1H3,(H,24,26)