7-methoxy-5-(4-sulfamoylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-8-sulfonamide

Systemtic Name: 7-methoxy-5-(4-sulfamoylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-8-sulfonamide Openeye Name: 7-methoxy-5-(4-sulfamoylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-8-sulfonamide CAS Name: 7-methoxy-5-(4-sulfamoylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-8-sulfonamide IUPAC Name: 7-methoxy-5-(4-sulfamoylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-8-sulfonamide Traditional Name: 7-methoxy-5-(4-sulfamoylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-8-sulfonamide Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCNCC(C2=C1)C3=CC=C(C=C3)S(=O)(=O)N)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C2CCNCC(C2=C1)C3=CC=C(C=C3)S(=O)(=O)N)S(=O)(=O)N

InChI

InChI=1S/C17H21N3O5S2/c1-25-16-9-14-12(8-17(16)27(19,23)24)6-7-20-10-15(14)11-2-4-13(5-3-11)26(18,21)22/h2-5,8-9,15,20H,6-7,10H2,1H3,(H2,18,21,22)(H2,19,23,24)