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

Systemtic Name: N-[(2S)-3-(3-cyanophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]naphthalene-2-sulfonamide Openeye Name: N-[(1S)-1-[(3-cyanophenyl)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-ethyl]naphthalene-2-sulfonamide CAS Name: N-[(2S)-3-(3-cyanophenyl)-1-[4-(2-hydroxyethyl)-1-piperazinyl]-1-oxopropan-2-yl]-2-naphthalenesulfonamide IUPAC Name: N-[(2S)-3-(3-cyanophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]naphthalene-2-sulfonamide Traditional Name: N-[(1S)-1-(3-cyanobenzyl)-2-[4-(2-hydroxyethyl)piperazino]-2-keto-ethyl]naphthalene-2-sulfonamide Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C(=O)C(CC2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1CCO)C(=O)[C@H](CC2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H28N4O4S/c27-19-21-5-3-4-20(16-21)17-25(26(32)30-12-10-29(11-13-30)14-15-31)28-35(33,34)24-9-8-22-6-1-2-7-23(22)18-24/h1-9,16,18,25,28,31H,10-15,17H2/t25-/m0/s1