2-[4-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C21H23ClN4O3S2 MolecularWeight: 479.01532

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H23ClN4O3S2/c1-2-9-24(15-18-7-8-20(22)30-18)16-21(27)25-10-12-26(13-11-25)31(28,29)19-6-4-3-5-17(19)14-23/h2-8H,1,9-13,15-16H2