N-(3-imidazol-1-ylpropyl)-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-(3-imidazol-1-ylpropyl)-4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-[3-(1-imidazolyl)propyl]-4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: 3-imidazol-1-ylpropyl-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4S/c1-15-5-10-22(11-6-15)28(26,27)16-3-4-17(18(13-16)23(24)25)20-7-2-9-21-12-8-19-14-21/h3-4,8,12-15,20H,2,5-7,9-11H2,1H3