3-[3-[1-(4-aminophenyl)sulfonylpiperidin-4-yl]-2-oxidanylidene-1,3-diazepan-1-yl]benzenecarboximidamide

Systemtic Name: 3-[3-[1-(4-aminophenyl)sulfonylpiperidin-4-yl]-2-oxidanylidene-1,3-diazepan-1-yl]benzenecarboximidamide Openeye Name: 3-[3-[1-(4-aminophenyl)sulfonyl-4-piperidyl]-2-oxo-1,3-diazepan-1-yl]benzamidine CAS Name: 3-[3-[1-(4-aminophenyl)sulfonyl-4-piperidinyl]-2-oxo-1,3-diazepan-1-yl]benzenecarboximidamide IUPAC Name: 3-[3-[1-(4-aminophenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-diazepan-1-yl]benzenecarboximidamide Traditional Name: 3-[2-keto-3-(1-sulfanilyl-4-piperidyl)-1,3-diazepan-1-yl]benzamidine Formula: C23H30N6O3S MolecularWeight: 470.5877

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)N(C1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CCN(C(=O)N(C1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C23H30N6O3S/c24-18-6-8-21(9-7-18)33(31,32)27-14-10-19(11-15-27)28-12-1-2-13-29(23(28)30)20-5-3-4-17(16-20)22(25)26/h3-9,16,19H,1-2,10-15,24H2,(H3,25,26)