N-[4-(azepan-1-ylsulfonyl)phenyl]-6-nitro-1,3-benzoxazol-2-amine

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-6-nitro-1,3-benzoxazol-2-amine Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-6-nitro-1,3-benzoxazol-2-amine CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-6-nitro-1,3-benzoxazol-2-amine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-6-nitro-1,3-benzoxazol-2-amine Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-(6-nitro-1,3-benzoxazol-2-yl)amine Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC4=C(O3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC4=C(O3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c24-23(25)15-7-10-17-18(13-15)28-19(21-17)20-14-5-8-16(9-6-14)29(26,27)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2,(H,20,21)