N-(4-methylpentyl)-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(4-methylpentyl)-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-isohexyl-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-(4-methylpentyl)-4-(3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(4-methylpentyl)-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-isohexyl-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C17H26N4O5S MolecularWeight: 398.47714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O5S/c1-14(2)5-4-8-18-17(22)19-9-11-20(12-10-19)27(25,26)16-7-3-6-15(13-16)21(23)24/h3,6-7,13-14H,4-5,8-12H2,1-2H3,(H,18,22)