naphthalen-1-ylmethyl 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoate

Systemtic Name: naphthalen-1-ylmethyl 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoate Openeye Name: 1-naphthylmethyl 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoate CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-4-methoxybenzoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxybenzoate Traditional Name: 3-[4-(3-chlorophenyl)piperazino]sulfonyl-4-methoxy-benzoic acid 1-naphthylmethyl ester Formula: C29H27ClN2O5S MolecularWeight: 551.05308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC3=CC=CC=C32)S(=O)(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC3=CC=CC=C32)S(=O)(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H27ClN2O5S/c1-36-27-13-12-22(29(33)37-20-23-8-4-7-21-6-2-3-11-26(21)23)18-28(27)38(34,35)32-16-14-31(15-17-32)25-10-5-9-24(30)19-25/h2-13,18-19H,14-17,20H2,1H3