1-[2-(4-chloranylphenoxy)ethyl]-4-(2-methoxy-4-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[2-(4-chloranylphenoxy)ethyl]-4-(2-methoxy-4-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxy-4-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxy-4-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxy-4-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxy-4-nitro-phenyl)sulfonyl-piperazine Formula: C19H22ClN3O6S MolecularWeight: 455.91248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClN3O6S/c1-28-18-14-16(23(24)25)4-7-19(18)30(26,27)22-10-8-21(9-11-22)12-13-29-17-5-2-15(20)3-6-17/h2-7,14H,8-13H2,1H3