N-(4-butylphenyl)-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide

Systemtic Name: N-(4-butylphenyl)-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide Openeye Name: N-(4-butylphenyl)-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide CAS Name: N-(4-butylphenyl)-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide IUPAC Name: N-(4-butylphenyl)-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide Traditional Name: N-(4-butylphenyl)-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C3CCN(CCC3=C2)C)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C3CCN(CCC3=C2)C)OC

InChI

InChI=1S/C22H30N2O3S/c1-4-5-6-17-7-9-20(10-8-17)23-28(25,26)22-16-19-12-14-24(2)13-11-18(19)15-21(22)27-3/h7-10,15-16,23H,4-6,11-14H2,1-3H3