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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1CCCN(C1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

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