N-butyl-4-[2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-3-methyl-pentanoyl]-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-butyl-4-[2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-3-methyl-pentanoyl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-[2-[(4-chloro-3-nitro-phenyl)sulfonylamino]-3-methyl-pentanoyl]-2-methyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[2-[(4-chloro-3-nitrophenyl)sulfonylamino]-3-methyl-1-oxopentyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[2-[(4-chloro-3-nitrophenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide Traditional Name: N-butyl-4-[2-[(4-chloro-3-nitro-phenyl)sulfonylamino]-3-methyl-pentanoyl]-2-methyl-piperazine-1-carboxamide Formula: C22H34ClN5O6S MolecularWeight: 532.05326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1C)C(=O)C(C(C)CC)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1C)C(=O)C(C(C)CC)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H34ClN5O6S/c1-5-7-10-24-22(30)27-12-11-26(14-16(27)4)21(29)20(15(3)6-2)25-35(33,34)17-8-9-18(23)19(13-17)28(31)32/h8-9,13,15-16,20,25H,5-7,10-12,14H2,1-4H3,(H,24,30)