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

Systemtic Name: N-[(2S)-3-(3-cyanophenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]naphthalene-2-sulfonamide Openeye Name: N-[(1S)-1-[(3-cyanophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]naphthalene-2-sulfonamide CAS Name: N-[(2S)-3-(3-cyanophenyl)-1-(4-methylsulfonyl-1-piperazinyl)-1-oxopropan-2-yl]-2-naphthalenesulfonamide IUPAC Name: N-[(2S)-3-(3-cyanophenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]naphthalene-2-sulfonamide Traditional Name: N-[(1S)-1-(3-cyanobenzyl)-2-keto-2-(4-mesylpiperazino)ethyl]naphthalene-2-sulfonamide Formula: C25H26N4O5S2 MolecularWeight: 526.62774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H26N4O5S2/c1-35(31,32)29-13-11-28(12-14-29)25(30)24(16-19-5-4-6-20(15-19)18-26)27-36(33,34)23-10-9-21-7-2-3-8-22(21)17-23/h2-10,15,17,24,27H,11-14,16H2,1H3/t24-/m0/s1