hexan-1-amine; 4-methyl-2-nitro-1-(phenylsulfonyl)benzene

Systemtic Name: hexan-1-amine; 4-methyl-2-nitro-1-(phenylsulfonyl)benzene Openeye Name: 1-(benzenesulfonyl)-4-methyl-2-nitro-benzene; hexan-1-amine CAS Name: 1-(benzenesulfonyl)-4-methyl-2-nitrobenzene; 1-hexanamine IUPAC Name: 1-(benzenesulfonyl)-4-methyl-2-nitrobenzene; hexan-1-amine Traditional Name: 1-besyl-4-methyl-2-nitro-benzene; hexylamine Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN.CC1=CC(=C(C=C1)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN.CC1=CC(=C(C=C1)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO4S.C6H15N/c1-10-7-8-13(12(9-10)14(15)16)19(17,18)11-5-3-2-4-6-11;1-2-3-4-5-6-7/h2-9H,1H3;2-7H2,1H3