1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2,5-dimethyl-1H-indol-3-yl)ethanone

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2,5-dimethyl-1H-indol-3-yl)ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2,5-dimethyl-1H-indol-3-yl)ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-(2,5-dimethyl-1H-indol-3-yl)ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2,5-dimethyl-1H-indol-3-yl)ethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-2-(2,5-dimethyl-1H-indol-3-yl)ethanone Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CC(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CC(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C22H32N4O3S/c1-17-7-8-21-20(15-17)19(18(2)23-21)16-22(27)24-11-13-26(14-12-24)30(28,29)25-9-5-3-4-6-10-25/h7-8,15,23H,3-6,9-14,16H2,1-2H3