2-[4-(1-ethylindol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(1-ethylindol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1-ethylindole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(1-ethyl-3-indolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1-ethylindole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(1-ethylindole-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H22N4O3S/c1-2-24-16-19(18-8-4-5-9-20(18)24)22(27)25-11-13-26(14-12-25)30(28,29)21-10-6-3-7-17(21)15-23/h3-10,16H,2,11-14H2,1H3