1-(4-bromanyl-3-propoxy-phenyl)sulfonyl-4-(phenylmethyl)piperidine

Systemtic Name: 1-(4-bromanyl-3-propoxy-phenyl)sulfonyl-4-(phenylmethyl)piperidine Openeye Name: 4-benzyl-1-(4-bromo-3-propoxy-phenyl)sulfonyl-piperidine CAS Name: 1-(4-bromo-3-propoxyphenyl)sulfonyl-4-(phenylmethyl)piperidine IUPAC Name: 4-benzyl-1-(4-bromo-3-propoxyphenyl)sulfonylpiperidine Traditional Name: 4-benzyl-1-(4-bromo-3-propoxy-phenyl)sulfonyl-piperidine Formula: C21H26BrNO3S MolecularWeight: 452.40504

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CCCOC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C21H26BrNO3S/c1-2-14-26-21-16-19(8-9-20(21)22)27(24,25)23-12-10-18(11-13-23)15-17-6-4-3-5-7-17/h3-9,16,18H,2,10-15H2,1H3