(phenylmethyl) N-[4-nitro-1-(phenylsulfonyl)heptyl]carbamate

Systemtic Name: (phenylmethyl) N-[4-nitro-1-(phenylsulfonyl)heptyl]carbamate Openeye Name: benzyl N-[1-(benzenesulfonyl)-4-nitro-heptyl]carbamate CAS Name: N-[1-(benzenesulfonyl)-4-nitroheptyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(benzenesulfonyl)-4-nitroheptyl]carbamate Traditional Name: N-(1-besyl-4-nitro-heptyl)carbamic acid benzyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(NC(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(CCC(NC(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O6S/c1-2-9-18(23(25)26)14-15-20(30(27,28)19-12-7-4-8-13-19)22-21(24)29-16-17-10-5-3-6-11-17/h3-8,10-13,18,20H,2,9,14-16H2,1H3,(H,22,24)