N-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-methyl-1-(4-octanoylpiperazine-1-carbonyl)butyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-methyl-1-oxo-1-[4-(1-oxooctyl)-1-piperazinyl]pentan-2-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-(4-caprylylpiperazine-1-carbonyl)-2-methyl-butyl]-4-nitro-benzenesulfonamide Formula: C24H38N4O6S MolecularWeight: 510.64672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C24H38N4O6S/c1-4-6-7-8-9-10-22(29)26-15-17-27(18-16-26)24(30)23(19(3)5-2)25-35(33,34)21-13-11-20(12-14-21)28(31)32/h11-14,19,23,25H,4-10,15-18H2,1-3H3