methyl 2-[1-naphthalen-2-ylsulfonyl-4-(phenylmethyl)piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-naphthalen-2-ylsulfonyl-4-(phenylmethyl)piperazin-2-yl]ethanoate Openeye Name: methyl 2-[4-benzyl-1-(2-naphthylsulfonyl)piperazin-2-yl]acetate CAS Name: 2-[1-(2-naphthalenylsulfonyl)-4-(phenylmethyl)-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-benzyl-1-naphthalen-2-ylsulfonylpiperazin-2-yl)acetate Traditional Name: 2-[4-benzyl-1-(2-naphthylsulfonyl)piperazin-2-yl]acetic acid methyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)CC1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O4S/c1-30-24(27)16-22-18-25(17-19-7-3-2-4-8-19)13-14-26(22)31(28,29)23-12-11-20-9-5-6-10-21(20)15-23/h2-12,15,22H,13-14,16-18H2,1H3