N-tert-butyl-2-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-keto-2-(4-mesylpiperazino)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C18H36N5O4S+ MolecularWeight: 418.57454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C18H35N5O4S/c1-18(2,3)19-16(24)14-20-6-5-7-21(9-8-20)15-17(25)22-10-12-23(13-11-22)28(4,26)27/h5-15H2,1-4H3,(H,19,24)/p+1