N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C18H25N5O4S/c1-14-12-15(2)22(20-14)11-5-8-19-17-7-6-16(13-18(17)23(24)25)28(26,27)21-9-3-4-10-21/h6-7,12-13,19H,3-5,8-11H2,1-2H3