2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-1-(1H-indol-3-yl)-1-propanone IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-1-(1H-indol-3-yl)propan-1-one Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H30N4O3S/c1-17(21(26)19-16-22-20-9-5-4-8-18(19)20)23-12-14-25(15-13-23)29(27,28)24-10-6-2-3-7-11-24/h4-5,8-9,16-17,22H,2-3,6-7,10-15H2,1H3