N-[4-(4-chloranylphenoxy)butyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[4-(4-chloranylphenoxy)butyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[4-(4-chlorophenoxy)butyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[4-(4-chlorophenoxy)butyl]-4-(3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[4-(4-chlorophenoxy)butyl]-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[4-(4-chlorophenoxy)butyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C21H25ClN4O6S MolecularWeight: 496.9644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCCCCOC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)NCCCCOC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25ClN4O6S/c22-17-6-8-19(9-7-17)32-15-2-1-10-23-21(27)24-11-13-25(14-12-24)33(30,31)20-5-3-4-18(16-20)26(28)29/h3-9,16H,1-2,10-15H2,(H,23,27)