4-[[5-(4-methylphenyl)sulfonyl-3,4,5a,6-tetrahydro-2H-1,5-benzodiazepin-1-yl]sulfonyl]benzamide

Systemtic Name: 4-[[5-(4-methylphenyl)sulfonyl-3,4,5a,6-tetrahydro-2H-1,5-benzodiazepin-1-yl]sulfonyl]benzamide Openeye Name: 4-[[5-(p-tolylsulfonyl)-3,4,5a,6-tetrahydro-2H-1,5-benzodiazepin-1-yl]sulfonyl]benzamide CAS Name: 4-[[5-(4-methylphenyl)sulfonyl-3,4,5a,6-tetrahydro-2H-1,5-benzodiazepin-1-yl]sulfonyl]benzamide IUPAC Name: 4-[[5-(4-methylphenyl)sulfonyl-3,4,5a,6-tetrahydro-2H-1,5-benzodiazepin-1-yl]sulfonyl]benzamide Traditional Name: 4-[(5-tosyl-3,4,5a,6-tetrahydro-2H-1,5-benzodiazepin-1-yl)sulfonyl]benzamide Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C3=CC=CCC32)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C3=CC=CCC32)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C23H25N3O5S2/c1-17-7-11-19(12-8-17)32(28,29)25-15-4-16-26(22-6-3-2-5-21(22)25)33(30,31)20-13-9-18(10-14-20)23(24)27/h2-3,6-14,21H,4-5,15-16H2,1H3,(H2,24,27)