[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-[4-(pyridin-3-ylmethoxy)phenyl]methanone

Systemtic Name: [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-[4-(pyridin-3-ylmethoxy)phenyl]methanone Openeye Name: [4-(3-pyridylmethoxy)phenyl]-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-[4-(3-pyridinylmethoxy)phenyl]methanone IUPAC Name: [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-[4-(pyridin-3-ylmethoxy)phenyl]methanone Traditional Name: [4-(3-pyridylmethoxy)phenyl]-[4-(4-sec-butylphenyl)sulfonylpiperazino]methanone Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OCC4=CN=CC=C4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-3-21(2)23-8-12-26(13-9-23)35(32,33)30-17-15-29(16-18-30)27(31)24-6-10-25(11-7-24)34-20-22-5-4-14-28-19-22/h4-14,19,21H,3,15-18,20H2,1-2H3