N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C21H25ClN4O6S MolecularWeight: 496.9644

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(C(=C3)Cl)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(C(=C3)Cl)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H25ClN4O6S/c1-24-5-7-25(8-6-24)33(29,30)16-3-4-18(19(13-16)26(27)28)23-14-15-11-17(22)21-20(12-15)31-9-2-10-32-21/h3-4,11-13,23H,2,5-10,14H2,1H3