N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-15(17-6-5-7-18(14-17)23(25)26)21(2)20(24)16-8-10-19(11-9-16)29(27,28)22-12-3-4-13-22/h5-11,14-15H,3-4,12-13H2,1-2H3/t15-/m1/s1