(3-bromanyl-5-methoxy-4-propoxy-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (3-bromanyl-5-methoxy-4-propoxy-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3-bromo-5-methoxy-4-propoxy-phenyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(3-bromo-5-methoxy-4-propoxyphenyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3-bromo-5-methoxy-4-propoxyphenyl)methanone Traditional Name: (4-besylpiperazino)-(3-bromo-5-methoxy-4-propoxy-phenyl)methanone Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H25BrN2O5S/c1-3-13-29-20-18(22)14-16(15-19(20)28-2)21(25)23-9-11-24(12-10-23)30(26,27)17-7-5-4-6-8-17/h4-8,14-15H,3,9-13H2,1-2H3