3-[1-[5-chloranyl-1-(phenylsulfonyl)indol-2-yl]sulfanylpiperazin-2-yl]propanenitrile

Systemtic Name: 3-[1-[5-chloranyl-1-(phenylsulfonyl)indol-2-yl]sulfanylpiperazin-2-yl]propanenitrile Openeye Name: 3-[1-[1-(benzenesulfonyl)-5-chloro-indol-2-yl]sulfanylpiperazin-2-yl]propanenitrile CAS Name: 3-[1-[[1-(benzenesulfonyl)-5-chloro-2-indolyl]thio]-2-piperazinyl]propanenitrile IUPAC Name: 3-[1-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfanylpiperazin-2-yl]propanenitrile Traditional Name: 3-[1-[(1-besyl-5-chloro-indol-2-yl)thio]piperazin-2-yl]propionitrile Formula: C21H21ClN4O2S2 MolecularWeight: 461.00004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)CCC#N)SC2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

C1CN(C(CN1)CCC#N)SC2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C21H21ClN4O2S2/c22-17-8-9-20-16(13-17)14-21(26(20)30(27,28)19-6-2-1-3-7-19)29-25-12-11-24-15-18(25)5-4-10-23/h1-3,6-9,13-14,18,24H,4-5,11-12,15H2