3-[3-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-1-enyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-1-enyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(E)-3-(4-benzylsulfonylpiperazin-1-yl)-3-oxo-prop-1-enyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[(E)-3-oxo-3-[4-(phenylmethyl)sulfonyl-1-piperazinyl]prop-1-enyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(E)-3-(4-benzylsulfonylpiperazin-1-yl)-3-oxoprop-1-enyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(E)-3-(4-benzylsulfonylpiperazino)-3-keto-prop-1-enyl]indol-1-yl]propionitrile Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CN(C3=CC=CC=C32)CCC#N)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CN(C3=CC=CC=C32)CCC#N)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3S/c26-13-6-14-28-19-22(23-9-4-5-10-24(23)28)11-12-25(30)27-15-17-29(18-16-27)33(31,32)20-21-7-2-1-3-8-21/h1-5,7-12,19H,6,14-18,20H2/b12-11+