3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]-4-[(2-nitrophenyl)sulfonylamino]benzamide

Systemtic Name: 3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]-4-[(2-nitrophenyl)sulfonylamino]benzamide Openeye Name: 3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]-4-[(2-nitrophenyl)sulfonylamino]benzamide CAS Name: 3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]phenyl]-4-[(2-nitrophenyl)sulfonylamino]benzamide IUPAC Name: 3-methoxy-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]-4-[(2-nitrophenyl)sulfonylamino]benzamide Traditional Name: N-[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-3-methoxy-N-methyl-4-[(2-nitrophenyl)sulfonylamino]benzamide Formula: C33H41N5O8S MolecularWeight: 667.77234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC)OCCCCCC(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC)OCCCCCC(=O)N4CCN(CC4)C

InChI

InChI=1S/C33H41N5O8S/c1-24-13-16-27(30(22-24)46-21-9-5-6-12-32(39)37-19-17-35(2)18-20-37)36(3)33(40)25-14-15-26(29(23-25)45-4)34-47(43,44)31-11-8-7-10-28(31)38(41)42/h7-8,10-11,13-16,22-23,34H,5-6,9,12,17-21H2,1-4H3