methyl 2-[4-(1-phenylethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(1-phenylethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[4-(1-phenylethyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 2-[[4-(1-phenylethyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(1-phenylethyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(1-phenylethyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H24N2O4S/c1-16(17-8-4-3-5-9-17)21-12-14-22(15-13-21)27(24,25)19-11-7-6-10-18(19)20(23)26-2/h3-11,16H,12-15H2,1-2H3