3-[3-(4-hexanoylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 3-[3-(4-hexanoylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[3-(4-hexanoylpiperazin-1-yl)-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzamidine CAS Name: 3-[2-(2-naphthalenylsulfonylamino)-3-oxo-3-[4-(1-oxohexyl)-1-piperazinyl]propyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-hexanoylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-(4-caproylpiperazino)-3-keto-2-(2-naphthylsulfonylamino)propyl]benzamidine Formula: C30H37N5O4S MolecularWeight: 563.71088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H37N5O4S/c1-2-3-4-12-28(36)34-15-17-35(18-16-34)30(37)27(20-22-8-7-11-25(19-22)29(31)32)33-40(38,39)26-14-13-23-9-5-6-10-24(23)21-26/h5-11,13-14,19,21,27,33H,2-4,12,15-18,20H2,1H3,(H3,31,32)