4-(azocan-1-ylsulfonyl)-2-nitro-aniline

Systemtic Name: 4-(azocan-1-ylsulfonyl)-2-nitro-aniline Openeye Name: 4-(azocan-1-ylsulfonyl)-2-nitro-aniline CAS Name: 4-(1-azocanylsulfonyl)-2-nitroaniline IUPAC Name: 4-(azocan-1-ylsulfonyl)-2-nitroaniline Traditional Name: [4-(azocan-1-ylsulfonyl)-2-nitro-phenyl]amine Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)S(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CCC1)S(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c14-12-7-6-11(10-13(12)16(17)18)21(19,20)15-8-4-2-1-3-5-9-15/h6-7,10H,1-5,8-9,14H2