1-(4-methoxyphenyl)-4-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)piperazine

Systemtic Name: 1-(4-methoxyphenyl)-4-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)piperazine Openeye Name: 1-(4-methoxyphenyl)-4-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)piperazine CAS Name: 1-(4-methoxyphenyl)-4-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]piperazine IUPAC Name: 1-(4-methoxyphenyl)-4-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)piperazine Traditional Name: 1-(4-methoxyphenyl)-4-(4-nitro-2-pyrrolidinosulfonyl-phenyl)piperazine Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H26N4O5S/c1-30-19-7-4-17(5-8-19)22-12-14-23(15-13-22)20-9-6-18(25(26)27)16-21(20)31(28,29)24-10-2-3-11-24/h4-9,16H,2-3,10-15H2,1H3