N-[(2-methoxy-5-nitro-phenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(2-methoxy-5-nitro-phenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(2-methoxy-5-nitrophenyl)methyl]-3-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(2-methoxy-5-nitrophenyl)methyl]-3-pyrrolidin-1-ylsulfonylaniline Traditional Name: (2-methoxy-5-nitro-benzyl)-(3-pyrrolidinosulfonylphenyl)amine Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CNC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CNC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H21N3O5S/c1-26-18-8-7-16(21(22)23)11-14(18)13-19-15-5-4-6-17(12-15)27(24,25)20-9-2-3-10-20/h4-8,11-12,19H,2-3,9-10,13H2,1H3