(2-nitrophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (2-nitrophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (2-nitrophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (2-nitrobenzyl) ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H24N2O7S/c1-29-19-11-10-16(14-20(19)31(27,28)22-12-6-2-3-7-13-22)21(24)30-15-17-8-4-5-9-18(17)23(25)26/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3