3-cyanopropyl 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: 3-cyanopropyl 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: 3-cyanopropyl 4-[4-(2-naphthylsulfonyl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-4-oxobutanoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(2-naphthylsulfonyl)piperazino]butyric acid 3-cyanopropyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)OCCCC#N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)OCCCC#N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H25N3O5S/c23-11-3-4-16-30-22(27)10-9-21(26)24-12-14-25(15-13-24)31(28,29)20-8-7-18-5-1-2-6-19(18)17-20/h1-2,5-8,17H,3-4,9-10,12-16H2