2-methyl-5-nitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy]ethyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[2-(6-pyrrolidinopyrimidin-4-yl)oxyethyl]benzenesulfonamide Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCC3

InChI

InChI=1S/C17H21N5O5S/c1-13-4-5-14(22(23)24)10-15(13)28(25,26)20-6-9-27-17-11-16(18-12-19-17)21-7-2-3-8-21/h4-5,10-12,20H,2-3,6-9H2,1H3