N,N-diethyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[(2S)-2-methyl-1-oxobutyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-[(2S)-2-methylbutanoyl]piperazino]-3-nitro-benzenesulfonamide Formula: C19H30N4O5S MolecularWeight: 426.5303

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O5S/c1-5-15(4)19(24)21-12-10-20(11-13-21)17-9-8-16(14-18(17)23(25)26)29(27,28)22(6-2)7-3/h8-9,14-15H,5-7,10-13H2,1-4H3/t15-/m0/s1