[4-(phenylsulfonyl)piperazin-1-yl]-[4-(propan-2-yloxymethyl)phenyl]methanone

Systemtic Name: [4-(phenylsulfonyl)piperazin-1-yl]-[4-(propan-2-yloxymethyl)phenyl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[4-(isopropoxymethyl)phenyl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[4-(propan-2-yloxymethyl)phenyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-[4-(propan-2-yloxymethyl)phenyl]methanone Traditional Name: (4-besylpiperazino)-[4-(isopropoxymethyl)phenyl]methanone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)OCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-17(2)27-16-18-8-10-19(11-9-18)21(24)22-12-14-23(15-13-22)28(25,26)20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3