3-[2-oxidanylidene-3-[1-(phenylsulfonyl)piperidin-4-yl]-1,3-diazepan-1-yl]benzenecarboximidamide

Systemtic Name: 3-[2-oxidanylidene-3-[1-(phenylsulfonyl)piperidin-4-yl]-1,3-diazepan-1-yl]benzenecarboximidamide Openeye Name: 3-[3-[1-(benzenesulfonyl)-4-piperidyl]-2-oxo-1,3-diazepan-1-yl]benzamidine CAS Name: 3-[3-[1-(benzenesulfonyl)-4-piperidinyl]-2-oxo-1,3-diazepan-1-yl]benzenecarboximidamide IUPAC Name: 3-[3-[1-(benzenesulfonyl)piperidin-4-yl]-2-oxo-1,3-diazepan-1-yl]benzenecarboximidamide Traditional Name: 3-[3-(1-besyl-4-piperidyl)-2-keto-1,3-diazepan-1-yl]benzamidine Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O3S/c24-22(25)18-7-6-8-20(17-18)28-14-5-4-13-27(23(28)29)19-11-15-26(16-12-19)32(30,31)21-9-2-1-3-10-21/h1-3,6-10,17,19H,4-5,11-16H2,(H3,24,25)