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

Systemtic Name: N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[[3-(1-imidazolylmethyl)phenyl]methyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: [3-(imidazol-1-ylmethyl)benzyl]-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC(=C3)CN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC(=C3)CN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4S/c28-27(29)22-14-20(32(30,31)26-10-2-1-3-11-26)7-8-21(22)24-15-18-5-4-6-19(13-18)16-25-12-9-23-17-25/h4-9,12-14,17,24H,1-3,10-11,15-16H2