(2-methoxy-5-methyl-phenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O5S/c1-20-11-12-25(32-2)22(17-20)19-33-26(29)21-7-6-10-24(18-21)34(30,31)28-15-13-27(14-16-28)23-8-4-3-5-9-23/h3-12,17-18H,13-16,19H2,1-2H3