(4-butylphenyl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-butylphenyl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-butylphenyl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-butylphenyl)-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-butylphenyl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-butylphenyl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]methanone Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H30N2O5S/c1-4-5-6-18-7-9-19(10-8-18)23(26)24-13-15-25(16-14-24)31(27,28)20-11-12-21(29-2)22(17-20)30-3/h7-12,17H,4-6,13-16H2,1-3H3