4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitro-N-prop-2-enyl-aniline

Systemtic Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitro-N-prop-2-enyl-aniline Openeye Name: N-allyl-4-[(3,5-dimethyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-2-nitro-N-prop-2-enylaniline IUPAC Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitro-N-prop-2-enylaniline Traditional Name: allyl-[4-(3,5-dimethylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC=C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC=C)[N+](=O)[O-])C

InChI

InChI=1S/C16H23N3O4S/c1-4-7-17-15-6-5-14(9-16(15)19(20)21)24(22,23)18-10-12(2)8-13(3)11-18/h4-6,9,12-13,17H,1,7-8,10-11H2,2-3H3