N-(4-butylphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide

Systemtic Name: N-(4-butylphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide Openeye Name: N-(4-butylphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide CAS Name: N-(4-butylphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide IUPAC Name: N-(4-butylphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide Traditional Name: N-(4-butylphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(CCN(CC3)C)C=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(CCN(CC3)C)C=C2

InChI

InChI=1S/C21H28N2O2S/c1-3-4-5-17-6-9-20(10-7-17)22-26(24,25)21-11-8-18-12-14-23(2)15-13-19(18)16-21/h6-11,16,22H,3-5,12-15H2,1-2H3