2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[5-(1-azepanylsulfonyl)-1-indolyl]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)CC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C25H31N5O3S/c31-25(28-17-15-27(16-18-28)24-7-3-4-11-26-24)20-29-14-10-21-19-22(8-9-23(21)29)34(32,33)30-12-5-1-2-6-13-30/h3-4,7-11,14,19H,1-2,5-6,12-13,15-18,20H2