N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-N'-pyrazin-2-yl-ethane-1,2-diamine

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-N'-pyrazin-2-yl-ethane-1,2-diamine Openeye Name: N-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]-N'-pyrazin-2-yl-ethane-1,2-diamine CAS Name: N-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-N'-(2-pyrazinyl)ethane-1,2-diamine IUPAC Name: N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]-N'-pyrazin-2-ylethane-1,2-diamine Traditional Name: 2-[4-(4-methylpiperidino)sulfonyl-2-nitro-anilino]ethyl-pyrazin-2-yl-amine Formula: C18H24N6O4S MolecularWeight: 420.48596

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCNC3=NC=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCNC3=NC=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O4S/c1-14-4-10-23(11-5-14)29(27,28)15-2-3-16(17(12-15)24(25)26)20-8-9-22-18-13-19-6-7-21-18/h2-3,6-7,12-14,20H,4-5,8-11H2,1H3,(H,21,22)