(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(3-bromo-4-ethoxy-5-methoxy-phenyl)methanone CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(3-bromo-4-ethoxy-5-methoxy-phenyl)methanone Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

InChI

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