N-(3-butoxypropyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(3-butoxypropyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3-butoxypropyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(3-butoxypropyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3-butoxypropyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-butoxypropyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H29FN2O4S MolecularWeight: 448.550763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOCCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H29FN2O4S/c1-2-3-14-30-15-6-13-25-23(27)22-16-18-7-4-5-8-19(18)17-26(22)31(28,29)21-11-9-20(24)10-12-21/h4-5,7-12,22H,2-3,6,13-17H2,1H3,(H,25,27)