N,N-dibutyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonyl-quinazolin-4-amine

Systemtic Name: N,N-dibutyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonyl-quinazolin-4-amine Openeye Name: N,N-dibutyl-6-[4-[(E)-cinnamyl]piperazin-1-yl]sulfonyl-quinazolin-4-amine CAS Name: N,N-dibutyl-6-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]sulfonyl]-4-quinazolinamine IUPAC Name: N,N-dibutyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonylquinazolin-4-amine Traditional Name: dibutyl-[6-[4-[(E)-cinnamyl]piperazino]sulfonylquinazolin-4-yl]amine Formula: C29H39N5O2S MolecularWeight: 521.71726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=NC=NC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCCCN(CCCC)C1=NC=NC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H39N5O2S/c1-3-5-17-33(18-6-4-2)29-27-23-26(14-15-28(27)30-24-31-29)37(35,36)34-21-19-32(20-22-34)16-10-13-25-11-8-7-9-12-25/h7-15,23-24H,3-6,16-22H2,1-2H3/b13-10+