N-[3-(imidazol-1-ylmethyl)phenyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[3-(imidazol-1-ylmethyl)phenyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[3-(imidazol-1-ylmethyl)phenyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[3-(1-imidazolylmethyl)phenyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[3-(imidazol-1-ylmethyl)phenyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: [3-(imidazol-1-ylmethyl)phenyl]-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=CC(=C3)CN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=CC(=C3)CN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4S/c27-26(28)21-14-19(31(29,30)25-10-2-1-3-11-25)7-8-20(21)23-18-6-4-5-17(13-18)15-24-12-9-22-16-24/h4-9,12-14,16,23H,1-3,10-11,15H2