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

Systemtic Name: 2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-yl-quinazoline Openeye Name: 2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-(1-piperidyl)quinazoline CAS Name: 2-[1-[4-(4-ethylphenyl)sulfonyl-1-piperazinyl]ethyl]-4-(1-piperidinyl)quinazoline IUPAC Name: 2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline Traditional Name: 2-[1-[4-(4-ethylphenyl)sulfonylpiperazino]ethyl]-4-piperidino-quinazoline Formula: C27H35N5O2S MolecularWeight: 493.6641

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)N5CCCCC5

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)N5CCCCC5

InChI

InChI=1S/C27H35N5O2S/c1-3-22-11-13-23(14-12-22)35(33,34)32-19-17-30(18-20-32)21(2)26-28-25-10-6-5-9-24(25)27(29-26)31-15-7-4-8-16-31/h5-6,9-14,21H,3-4,7-8,15-20H2,1-2H3