(4-ethylphenyl)-[4-(3-piperidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]methanone

Systemtic Name: (4-ethylphenyl)-[4-(3-piperidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]methanone Openeye Name: (4-ethylphenyl)-[4-[3-(1-piperidylsulfonyl)benzoyl]piperazin-1-yl]methanone CAS Name: (4-ethylphenyl)-[4-[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]-1-piperazinyl]methanone IUPAC Name: (4-ethylphenyl)-[4-(3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]methanone Traditional Name: (4-ethylphenyl)-[4-(3-piperidinosulfonylbenzoyl)piperazino]methanone Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H31N3O4S/c1-2-20-9-11-21(12-10-20)24(29)26-15-17-27(18-16-26)25(30)22-7-6-8-23(19-22)33(31,32)28-13-4-3-5-14-28/h6-12,19H,2-5,13-18H2,1H3