N-[3-(azepan-1-ylsulfonyl)phenyl]-5-ethylsulfonyl-1,3-benzoxazol-2-amine

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-ethylsulfonyl-1,3-benzoxazol-2-amine Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-ethylsulfonyl-1,3-benzoxazol-2-amine CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-5-ethylsulfonyl-1,3-benzoxazol-2-amine IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-5-ethylsulfonyl-1,3-benzoxazol-2-amine Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-(5-esyl-1,3-benzoxazol-2-yl)amine Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H25N3O5S2/c1-2-30(25,26)17-10-11-20-19(15-17)23-21(29-20)22-16-8-7-9-18(14-16)31(27,28)24-12-5-3-4-6-13-24/h7-11,14-15H,2-6,12-13H2,1H3,(H,22,23)