3-[(2S)-2-(naphthalen-2-ylsulfonylamino)-3-[4-(2-oxidanylethanoyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 3-[(2S)-2-(naphthalen-2-ylsulfonylamino)-3-[4-(2-oxidanylethanoyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[(2S)-3-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzamidine CAS Name: 3-[(2S)-3-[4-(2-hydroxy-1-oxoethyl)-1-piperazinyl]-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[(2S)-3-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[(2S)-3-(4-glycoloylpiperazino)-3-keto-2-(2-naphthylsulfonylamino)propyl]benzamidine Formula: C26H29N5O5S MolecularWeight: 523.60396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CO)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=O)CO)C(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H29N5O5S/c27-25(28)21-7-3-4-18(14-21)15-23(26(34)31-12-10-30(11-13-31)24(33)17-32)29-37(35,36)22-9-8-19-5-1-2-6-20(19)16-22/h1-9,14,16,23,29,32H,10-13,15,17H2,(H3,27,28)/t23-/m0/s1