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N-methyl-3,5-dinitro-4-(pentan-3-ylamino)benzenesulfonamide

N-methyl-3,5-dinitro-4-(pentan-3-ylamino)benzenesulfonamide

Systemtic Name:N-methyl-3,5-dinitro-4-(pentan-3-ylamino)benzenesulfonamide
Openeye Name:4-(1-ethylpropylamino)-N-methyl-3,5-dinitro-benzenesulfonamide
CAS Name:N-methyl-3,5-dinitro-4-(pentan-3-ylamino)benzenesulfonamide
IUPAC Name:N-methyl-3,5-dinitro-4-(pentan-3-ylamino)benzenesulfonamide
Traditional Name:4-(1-ethylpropylamino)-N-methyl-3,5-dinitro-benzenesulfonamide
Formula: C12H18N4O6S
MolecularWeight: 346.35952
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC)[N+](=O)[O-]


Isomeric SMILES

CCC(CC)NC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC)[N+](=O)[O-]


InChI

InChI=1S/C12H18N4O6S/c1-4-8(5-2)14-12-10(15(17)18)6-9(23(21,22)13-3)7-11(12)16(19)20/h6-8,13-14H,4-5H2,1-3H3


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