1-[(2-methoxyphenyl)methylamino]-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol

Systemtic Name: 1-[(2-methoxyphenyl)methylamino]-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol Openeye Name: 1-[(2-methoxyphenyl)methylamino]-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol CAS Name: 1-[(2-methoxyphenyl)methylamino]-3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-2-propanol IUPAC Name: 1-[(2-methoxyphenyl)methylamino]-3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propan-2-ol Traditional Name: 1-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-3-(o-anisylamino)propan-2-ol Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNCC(COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=CC=C1CNCC(COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])O

InChI

InChI=1S/C21H27N3O7S/c1-30-20-7-3-2-6-16(20)13-22-14-17(25)15-31-21-9-8-18(12-19(21)24(26)27)32(28,29)23-10-4-5-11-23/h2-3,6-9,12,17,22,25H,4-5,10-11,13-15H2,1H3