N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-nitro-2-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-nitro-2-pyrrolidin-1-ylsulfonylaniline Traditional Name: 1-(3-bromo-4-methoxy-phenyl)ethyl-(4-nitro-2-pyrrolidinosulfonyl-phenyl)amine Formula: C19H22BrN3O5S MolecularWeight: 484.36408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)Br)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)Br)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H22BrN3O5S/c1-13(14-5-8-18(28-2)16(20)11-14)21-17-7-6-15(23(24)25)12-19(17)29(26,27)22-9-3-4-10-22/h5-8,11-13,21H,3-4,9-10H2,1-2H3