N-(4-butylphenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(4-butylphenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-butylphenyl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(4-butylphenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-butylphenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-butylphenyl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H26N2O3S2/c1-2-3-7-18-11-13-21(14-12-18)25-24(27)22-16-19-8-4-5-9-20(19)17-26(22)31(28,29)23-10-6-15-30-23/h4-6,8-15,22H,2-3,7,16-17H2,1H3,(H,25,27)