N-[3-(3-methylphenoxy)propyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[3-(3-methylphenoxy)propyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[3-(3-methylphenoxy)propyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[3-(3-methylphenoxy)propyl]-4-nitro-2-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[3-(3-methylphenoxy)propyl]-4-nitro-2-pyrrolidin-1-ylsulfonylaniline Traditional Name: 3-(3-methylphenoxy)propyl-(4-nitro-2-pyrrolidinosulfonyl-phenyl)amine Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H25N3O5S/c1-16-6-4-7-18(14-16)28-13-5-10-21-19-9-8-17(23(24)25)15-20(19)29(26,27)22-11-2-3-12-22/h4,6-9,14-15,21H,2-3,5,10-13H2,1H3