4-bromanyl-3-methyl-N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)aniline

Systemtic Name: 4-bromanyl-3-methyl-N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)aniline Openeye Name: 4-bromo-3-methyl-N-[2-nitro-4-(1-piperidylsulfonyl)phenyl]aniline CAS Name: 4-bromo-3-methyl-N-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]aniline IUPAC Name: 4-bromo-3-methyl-N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)aniline Traditional Name: (4-bromo-3-methyl-phenyl)-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C18H20BrN3O4S MolecularWeight: 454.3381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H20BrN3O4S/c1-13-11-14(5-7-16(13)19)20-17-8-6-15(12-18(17)22(23)24)27(25,26)21-9-3-2-4-10-21/h5-8,11-12,20H,2-4,9-10H2,1H3