methyl 3-methyl-4-[[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]amino]benzoate

Systemtic Name: methyl 3-methyl-4-[[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]amino]benzoate Openeye Name: methyl 4-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]amino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(4-besylpiperazino)-2-keto-ethyl]amino]-3-methyl-benzoic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5S/c1-16-14-17(21(26)29-2)8-9-19(16)22-15-20(25)23-10-12-24(13-11-23)30(27,28)18-6-4-3-5-7-18/h3-9,14,22H,10-13,15H2,1-2H3