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

Systemtic Name: 3-[(2S)-3-(4-ethanoylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide hydrochloride Openeye Name: 3-[(2S)-3-(4-acetylpiperazin-1-yl)-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzamidine hydrochloride CAS Name: 3-[(2S)-3-(4-acetyl-1-piperazinyl)-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]benzenecarboximidamide hydrochloride IUPAC Name: 3-[(2S)-3-(4-acetylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide hydrochloride Traditional Name: 3-[(2S)-3-(4-acetylpiperazino)-3-keto-2-(2-naphthylsulfonylamino)propyl]benzamidine hydrochloride Formula: C26H30ClN5O4S MolecularWeight: 544.0655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O4S.ClH/c1-18(32)30-11-13-31(14-12-30)26(33)24(16-19-5-4-8-22(15-19)25(27)28)29-36(34,35)23-10-9-20-6-2-3-7-21(20)17-23;/h2-10,15,17,24,29H,11-14,16H2,1H3,(H3,27,28);1H/t24-;/m0./s1