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

Systemtic Name: 3-[2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-3-(4-propylsulfonylpiperazin-1-yl)propyl]benzenecarboximidamide Openeye Name: 3-[2-(2-naphthylsulfonylamino)-3-oxo-3-(4-propylsulfonylpiperazin-1-yl)propyl]benzamidine CAS Name: 3-[2-(2-naphthalenylsulfonylamino)-3-oxo-3-(4-propylsulfonyl-1-piperazinyl)propyl]benzenecarboximidamide IUPAC Name: 3-[2-(naphthalen-2-ylsulfonylamino)-3-oxo-3-(4-propylsulfonylpiperazin-1-yl)propyl]benzenecarboximidamide Traditional Name: 3-[3-keto-2-(2-naphthylsulfonylamino)-3-(4-propylsulfonylpiperazino)propyl]benzamidine Formula: C27H33N5O5S2 MolecularWeight: 571.71142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCS(=O)(=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/C27H33N5O5S2/c1-2-16-38(34,35)32-14-12-31(13-15-32)27(33)25(18-20-6-5-9-23(17-20)26(28)29)30-39(36,37)24-11-10-21-7-3-4-8-22(21)19-24/h3-11,17,19,25,30H,2,12-16,18H2,1H3,(H3,28,29)