3-chloranyl-4-methoxy-N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)aniline

Systemtic Name: 3-chloranyl-4-methoxy-N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)aniline Openeye Name: 3-chloro-4-methoxy-N-[2-nitro-4-(1-piperidylsulfonyl)phenyl]aniline CAS Name: 3-chloro-4-methoxy-N-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]aniline IUPAC Name: 3-chloro-4-methoxy-N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)aniline Traditional Name: (3-chloro-4-methoxy-phenyl)-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C18H20ClN3O5S MolecularWeight: 425.8865

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H20ClN3O5S/c1-27-18-8-5-13(11-15(18)19)20-16-7-6-14(12-17(16)22(23)24)28(25,26)21-9-3-2-4-10-21/h5-8,11-12,20H,2-4,9-10H2,1H3