3-[3-[(E)-3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]prop-1-enyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(E)-3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]prop-1-enyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(E)-3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxo-prop-1-enyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[(E)-3-[4-(benzenesulfonyl)-1-piperazinyl]-3-oxoprop-1-enyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(E)-3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxoprop-1-enyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(E)-3-(4-besylpiperazino)-3-keto-prop-1-enyl]indol-1-yl]propionitrile Formula: C24H24N4O3S MolecularWeight: 448.53736

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O3S/c25-13-6-14-27-19-20(22-9-4-5-10-23(22)27)11-12-24(29)26-15-17-28(18-16-26)32(30,31)21-7-2-1-3-8-21/h1-5,7-12,19H,6,14-18H2/b12-11+