4-naphthalen-2-ylsulfonylbut-2-ynyl 4-methylbenzoate

Systemtic Name: 4-naphthalen-2-ylsulfonylbut-2-ynyl 4-methylbenzoate Openeye Name: 4-(2-naphthylsulfonyl)but-2-ynyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 4-(2-naphthalenylsulfonyl)but-2-ynyl ester IUPAC Name: 4-naphthalen-2-ylsulfonylbut-2-ynyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 4-(2-naphthylsulfonyl)but-2-ynyl ester Formula: C22H18O4S MolecularWeight: 378.44092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC#CCS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC#CCS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H18O4S/c1-17-8-10-19(11-9-17)22(23)26-14-4-5-15-27(24,25)21-13-12-18-6-2-3-7-20(18)16-21/h2-3,6-13,16H,14-15H2,1H3