propan-2-yl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: propan-2-yl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: isopropyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid isopropyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-17(2)27-21(24)19-9-6-10-20(15-19)28(25,26)23-13-11-22(12-14-23)16-18-7-4-3-5-8-18/h3-10,15,17H,11-14,16H2,1-2H3