1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-pentan-3-yl-piperidine-4-carboxamide

Systemtic Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-pentan-3-yl-piperidine-4-carboxamide Openeye Name: N-(1-ethylpropyl)-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: 1-[4-(methylamino)-3-nitrophenyl]sulfonyl-N-pentan-3-yl-4-piperidinecarboxamide IUPAC Name: 1-[4-(methylamino)-3-nitrophenyl]sulfonyl-N-pentan-3-ylpiperidine-4-carboxamide Traditional Name: N-(1-ethylpropyl)-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-isonipecotamide Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O5S/c1-4-14(5-2)20-18(23)13-8-10-21(11-9-13)28(26,27)15-6-7-16(19-3)17(12-15)22(24)25/h6-7,12-14,19H,4-5,8-11H2,1-3H3,(H,20,23)