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

Systemtic Name: 3-bromanyl-5-ethoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-(phenylsulfonyl)indole Openeye Name: 1-(benzenesulfonyl)-3-bromo-5-ethoxy-2-[(4-methylpiperazin-1-yl)methyl]indole CAS Name: 1-(benzenesulfonyl)-3-bromo-5-ethoxy-2-[(4-methyl-1-piperazinyl)methyl]indole IUPAC Name: 1-(benzenesulfonyl)-3-bromo-5-ethoxy-2-[(4-methylpiperazin-1-yl)methyl]indole Traditional Name: 1-besyl-3-bromo-5-ethoxy-2-[(4-methylpiperazino)methyl]indole Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O3S/c1-3-29-17-9-10-20-19(15-17)22(23)21(16-25-13-11-24(2)12-14-25)26(20)30(27,28)18-7-5-4-6-8-18/h4-10,15H,3,11-14,16H2,1-2H3