N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(3,5-dimethylisoxazol-4-yl)methyl]-N-methyl-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-methyl-4-nitro-2-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-nitro-2-pyrrolidin-1-ylsulfonylaniline Traditional Name: (3,5-dimethylisoxazol-4-yl)methyl-methyl-(4-nitro-2-pyrrolidinosulfonyl-phenyl)amine Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN(C)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C(=NO1)C)CN(C)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H22N4O5S/c1-12-15(13(2)26-18-12)11-19(3)16-7-6-14(21(22)23)10-17(16)27(24,25)20-8-4-5-9-20/h6-7,10H,4-5,8-9,11H2,1-3H3