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

Systemtic Name: N-[(2S)-3-(3-cyanophenyl)-1-(4-ethanoylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]naphthalene-2-sulfonamide Openeye Name: N-[(1S)-2-(4-acetylpiperazin-1-yl)-1-[(3-cyanophenyl)methyl]-2-oxo-ethyl]naphthalene-2-sulfonamide CAS Name: N-[(2S)-1-(4-acetyl-1-piperazinyl)-3-(3-cyanophenyl)-1-oxopropan-2-yl]-2-naphthalenesulfonamide IUPAC Name: N-[(2S)-1-(4-acetylpiperazin-1-yl)-3-(3-cyanophenyl)-1-oxopropan-2-yl]naphthalene-2-sulfonamide Traditional Name: N-[(1S)-2-(4-acetylpiperazino)-1-(3-cyanobenzyl)-2-keto-ethyl]naphthalene-2-sulfonamide Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=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/C26H26N4O4S/c1-19(31)29-11-13-30(14-12-29)26(32)25(16-20-5-4-6-21(15-20)18-27)28-35(33,34)24-10-9-22-7-2-3-8-23(22)17-24/h2-10,15,17,25,28H,11-14,16H2,1H3/t25-/m0/s1