1H-indazol-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: 1H-indazol-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: 1H-indazol-3-yl-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: 1H-indazol-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: 1H-indazol-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: 1H-indazol-3-yl-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C20H22N4O3S/c1-15-7-9-16(10-8-15)28(26,27)24-12-4-11-23(13-14-24)20(25)19-17-5-2-3-6-18(17)21-22-19/h2-3,5-10H,4,11-14H2,1H3,(H,21,22)