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

Systemtic Name: 2-[1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-yl-quinazoline Openeye Name: 2-[1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-(1-piperidyl)quinazoline CAS Name: 2-[1-[4-(4-butylphenyl)sulfonyl-1-piperazinyl]ethyl]-4-(1-piperidinyl)quinazoline IUPAC Name: 2-[1-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline Traditional Name: 2-[1-[4-(4-butylphenyl)sulfonylpiperazino]ethyl]-4-piperidino-quinazoline Formula: C29H39N5O2S MolecularWeight: 521.71726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)N5CCCCC5

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)N5CCCCC5

InChI

InChI=1S/C29H39N5O2S/c1-3-4-10-24-13-15-25(16-14-24)37(35,36)34-21-19-32(20-22-34)23(2)28-30-27-12-7-6-11-26(27)29(31-28)33-17-8-5-9-18-33/h6-7,11-16,23H,3-5,8-10,17-22H2,1-2H3