N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@H](C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-14-6-9-20(28-3)17(12-14)15(2)21-18-8-7-16(13-19(18)23(24)25)29(26,27)22-10-4-5-11-22/h6-9,12-13,15,21H,4-5,10-11H2,1-3H3/t15-/m0/s1