4-(3-nitrophenyl)sulfonyl-N-pentan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-(3-nitrophenyl)sulfonyl-N-pentan-2-yl-piperazine-1-carboxamide Openeye Name: N-(1-methylbutyl)-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: 4-(3-nitrophenyl)sulfonyl-N-pentan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-(3-nitrophenyl)sulfonyl-N-pentan-2-ylpiperazine-1-carboxamide Traditional Name: N-(1-methylbutyl)-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C16H24N4O5S MolecularWeight: 384.45056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O5S/c1-3-5-13(2)17-16(21)18-8-10-19(11-9-18)26(24,25)15-7-4-6-14(12-15)20(22)23/h4,6-7,12-13H,3,5,8-11H2,1-2H3,(H,17,21)