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

Systemtic Name: 3-[3-(4-methylpiperidin-1-yl)-2-(naphthalen-1-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 3-[3-(4-methyl-1-piperidyl)-2-(1-naphthylsulfonylamino)-3-oxo-propyl]benzamidine CAS Name: 3-[3-(4-methyl-1-piperidinyl)-2-(1-naphthalenylsulfonylamino)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 3-[3-(4-methylpiperidin-1-yl)-2-(naphthalen-1-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 3-[3-keto-3-(4-methylpiperidino)-2-(1-naphthylsulfonylamino)propyl]benzamidine Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H30N4O3S/c1-18-12-14-30(15-13-18)26(31)23(17-19-6-4-9-21(16-19)25(27)28)29-34(32,33)24-11-5-8-20-7-2-3-10-22(20)24/h2-11,16,18,23,29H,12-15,17H2,1H3,(H3,27,28)