N-[2-(3-bromanylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]propane-2-sulfonamide

Systemtic Name: N-[2-(3-bromanylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]propane-2-sulfonamide Openeye Name: N-[2-(3-bromopiperazin-1-yl)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]propane-2-sulfonamide CAS Name: N-[2-(3-bromo-1-piperazinyl)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]-2-propanesulfonamide IUPAC Name: N-[2-(3-bromopiperazin-1-yl)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]propane-2-sulfonamide Traditional Name: N-[2-(3-bromopiperazino)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]propane-2-sulfonamide Formula: C21H28BrN3O3S MolecularWeight: 482.43432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NCC(C1=CC=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)Br

Isomeric SMILES

CC(C)S(=O)(=O)NCC(C1=CC=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)Br

InChI

InChI=1S/C21H28BrN3O3S/c1-15(2)29(27,28)24-13-19(25-12-11-23-21(22)14-25)17-9-7-16(8-10-17)18-5-3-4-6-20(18)26/h3-10,15,19,21,23-24,26H,11-14H2,1-2H3