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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[3-(3,5-dimethylpyrazol-1-yl)propyl]amine Formula: C20H29N5O4S MolecularWeight: 435.54036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H29N5O4S/c1-16-14-17(2)24(22-16)13-7-10-21-19-9-8-18(15-20(19)25(26)27)30(28,29)23-11-5-3-4-6-12-23/h8-9,14-15,21H,3-7,10-13H2,1-2H3