methyl 2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-propyl-amino]ethanoate

Systemtic Name: methyl 2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-propyl-amino]ethanoate Openeye Name: methyl 2-[[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-propyl-amino]acetate CAS Name: 2-[[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]-propylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-propylamino]acetate Traditional Name: 2-[[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]-propyl-amino]acetic acid methyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC(=O)OC

Isomeric SMILES

CCCN(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC(=O)OC

InChI

InChI=1S/C22H29N3O5S/c1-3-10-23(17-22(27)30-2)16-21(26)24-11-13-25(14-12-24)31(28,29)20-9-8-18-6-4-5-7-19(18)15-20/h4-9,15H,3,10-14,16-17H2,1-2H3