N-[1-(4-methoxyphenyl)-2-methyl-propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[1-(4-methoxyphenyl)-2-methyl-propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[1-(4-methoxyphenyl)-2-methyl-propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [1-(4-methoxyphenyl)-2-methyl-propyl]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c1-15(2)21(16-6-8-17(29-3)9-7-16)22-19-11-10-18(14-20(19)24(25)26)30(27,28)23-12-4-5-13-23/h6-11,14-15,21-22H,4-5,12-13H2,1-3H3