4-(4-nitrocyclohexa-1,5-dien-1-yl)sulfonyl-N-propan-2-yl-butan-1-amine

Systemtic Name: 4-(4-nitrocyclohexa-1,5-dien-1-yl)sulfonyl-N-propan-2-yl-butan-1-amine Openeye Name: N-isopropyl-4-(4-nitrocyclohexa-1,5-dien-1-yl)sulfonyl-butan-1-amine CAS Name: 4-[(4-nitro-1-cyclohexa-1,5-dienyl)sulfonyl]-N-propan-2-yl-1-butanamine IUPAC Name: 4-(4-nitrocyclohexa-1,5-dien-1-yl)sulfonyl-N-propan-2-ylbutan-1-amine Traditional Name: isopropyl-[4-(4-nitrocyclohexa-1,5-dien-1-yl)sulfonylbutyl]amine Formula: C13H22N2O4S MolecularWeight: 302.38978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCCS(=O)(=O)C1=CCC(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)NCCCCS(=O)(=O)C1=CCC(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H22N2O4S/c1-11(2)14-9-3-4-10-20(18,19)13-7-5-12(6-8-13)15(16)17/h5,7-8,11-12,14H,3-4,6,9-10H2,1-2H3