1-(2-bromanyl-4-methoxy-phenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-indole

Systemtic Name: 1-(2-bromanyl-4-methoxy-phenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-indole Openeye Name: 1-(2-bromo-4-methoxy-phenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-indole CAS Name: 1-(2-bromo-4-methoxyphenyl)sulfonyl-3-[(4-methyl-1-piperazinyl)methyl]-5-nitroindole IUPAC Name: 1-(2-bromo-4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-5-nitroindole Traditional Name: 1-(2-bromo-4-methoxy-phenyl)sulfonyl-3-[(4-methylpiperazino)methyl]-5-nitro-indole Formula: C21H23BrN4O5S MolecularWeight: 523.40012

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=C(C=C(C=C4)OC)Br

Isomeric SMILES

CN1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=C(C=C(C=C4)OC)Br

InChI

InChI=1S/C21H23BrN4O5S/c1-23-7-9-24(10-8-23)13-15-14-25(20-5-3-16(26(27)28)11-18(15)20)32(29,30)21-6-4-17(31-2)12-19(21)22/h3-6,11-12,14H,7-10,13H2,1-2H3