N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-methyl-3,5-dinitro-benzenesulfonamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-methyl-3,5-dinitro-benzenesulfonamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-methyl-3,5-dinitro-benzenesulfonamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-4-methyl-3,5-dinitrobenzenesulfonamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-methyl-3,5-dinitrobenzenesulfonamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-4-methyl-3,5-dinitro-benzenesulfonamide Formula: C19H24N6O7S MolecularWeight: 480.49486

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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)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O7S/c1-14-16(24(26)27)10-15(11-17(14)25(28)29)33(30,31)22-6-9-32-19-12-18(20-13-21-19)23-7-4-2-3-5-8-23/h10-13,22H,2-9H2,1H3