1-(3-methoxyphenyl)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazine

Systemtic Name: 1-(3-methoxyphenyl)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazine Openeye Name: 1-(3-methoxyphenyl)-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazine CAS Name: 1-(3-methoxyphenyl)-4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]piperazine IUPAC Name: 1-(3-methoxyphenyl)-4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazine Traditional Name: 1-(3-methoxyphenyl)-4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazine Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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