3-bromanyl-5-ethoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonyl-indole

Systemtic Name: 3-bromanyl-5-ethoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonyl-indole Openeye Name: 3-bromo-5-ethoxy-1-(4-isopropylphenyl)sulfonyl-2-[(4-methylpiperazin-1-yl)methyl]indole CAS Name: 3-bromo-5-ethoxy-2-[(4-methyl-1-piperazinyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole IUPAC Name: 3-bromo-5-ethoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole Traditional Name: 3-bromo-5-ethoxy-2-[(4-methylpiperazino)methyl]-1-p-cumenylsulfonyl-indole Formula: C25H32BrN3O3S MolecularWeight: 534.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=C2Br)CN3CCN(CC3)C)S(=O)(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=C2Br)CN3CCN(CC3)C)S(=O)(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C25H32BrN3O3S/c1-5-32-20-8-11-23-22(16-20)25(26)24(17-28-14-12-27(4)13-15-28)29(23)33(30,31)21-9-6-19(7-10-21)18(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3