N-[3-(3-cyanophenyl)-1-(4-ethylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]naphthalene-2-sulfonamide

Systemtic Name: N-[3-(3-cyanophenyl)-1-(4-ethylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]naphthalene-2-sulfonamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)-2-oxo-ethyl]naphthalene-2-sulfonamide CAS Name: N-[3-(3-cyanophenyl)-1-(4-ethylsulfonyl-1-piperazinyl)-1-oxopropan-2-yl]-2-naphthalenesulfonamide IUPAC Name: N-[3-(3-cyanophenyl)-1-(4-ethylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]naphthalene-2-sulfonamide Traditional Name: N-[1-(3-cyanobenzyl)-2-(4-esylpiperazino)-2-keto-ethyl]naphthalene-2-sulfonamide Formula: C26H28N4O5S2 MolecularWeight: 540.65432

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H28N4O5S2/c1-2-36(32,33)30-14-12-29(13-15-30)26(31)25(17-20-6-5-7-21(16-20)19-27)28-37(34,35)24-11-10-22-8-3-4-9-23(22)18-24/h3-11,16,18,25,28H,2,12-15,17H2,1H3