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

Systemtic Name: 1H-indol-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: 1H-indol-3-yl-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: 1H-indol-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: 1H-indol-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: 1H-indol-3-yl-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O3S/c1-16-7-9-17(10-8-16)28(26,27)24-12-4-11-23(13-14-24)21(25)19-15-22-20-6-3-2-5-18(19)20/h2-3,5-10,15,22H,4,11-14H2,1H3