N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-methyl-N-[(3-methyl-2-thienyl)methyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-methyl-N-[(3-methyl-2-thiophenyl)methyl]-4-nitro-2-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-nitro-2-pyrrolidin-1-ylsulfonylaniline Traditional Name: methyl-[(3-methyl-2-thienyl)methyl]-(4-nitro-2-pyrrolidinosulfonyl-phenyl)amine Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(C)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(SC=C1)CN(C)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H21N3O4S2/c1-13-7-10-25-16(13)12-18(2)15-6-5-14(20(21)22)11-17(15)26(23,24)19-8-3-4-9-19/h5-7,10-11H,3-4,8-9,12H2,1-2H3