1H-indazol-3-yl-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: 1H-indazol-3-yl-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: 1H-indazol-3-yl-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: 1H-indazol-3-yl-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1H-indazol-3-yl-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: 1H-indazol-3-yl-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C21H24N4O3S/c1-29(27,28)17-9-7-16(8-10-17)15-24-11-4-12-25(14-13-24)21(26)20-18-5-2-3-6-19(18)22-23-20/h2-3,5-10H,4,11-15H2,1H3,(H,22,23)