2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-yl-quinazoline

Systemtic Name: 2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-yl-quinazoline Openeye Name: 2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-(1-piperidyl)quinazoline CAS Name: 2-[1-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]ethyl]-4-(1-piperidinyl)quinazoline IUPAC Name: 2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline Traditional Name: 2-[1-[4-(4-butoxyphenyl)sulfonylpiperazino]ethyl]-4-piperidino-quinazoline Formula: C29H39N5O3S MolecularWeight: 537.71666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)N5CCCCC5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)N5CCCCC5

InChI

InChI=1S/C29H39N5O3S/c1-3-4-22-37-24-12-14-25(15-13-24)38(35,36)34-20-18-32(19-21-34)23(2)28-30-27-11-7-6-10-26(27)29(31-28)33-16-8-5-9-17-33/h6-7,10-15,23H,3-5,8-9,16-22H2,1-2H3