1-[(4-methylphenyl)methyl]-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-1,4-diazepane

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-1,4-diazepane Openeye Name: 1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-4-(p-tolylmethyl)-1,4-diazepane CAS Name: 1-[(4-methylphenyl)methyl]-4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1,4-diazepane IUPAC Name: 1-[(4-methylphenyl)methyl]-4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1,4-diazepane Traditional Name: 1-(4-methylbenzyl)-4-(2-nitro-4-piperidinosulfonyl-phenyl)-1,4-diazepane Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H32N4O4S/c1-20-6-8-21(9-7-20)19-25-12-5-13-26(17-16-25)23-11-10-22(18-24(23)28(29)30)33(31,32)27-14-3-2-4-15-27/h6-11,18H,2-5,12-17,19H2,1H3