N-[(1S,4R)-4-(benzotriazol-1-yl)-1-naphthalen-1-yl-hex-2-ynyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1S,4R)-4-(benzotriazol-1-yl)-1-naphthalen-1-yl-hex-2-ynyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,4R)-4-(benzotriazol-1-yl)-1-(1-naphthyl)hex-2-ynyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1S,4R)-4-(1-benzotriazolyl)-1-(1-naphthalenyl)hex-2-ynyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1S,4R)-4-(benzotriazol-1-yl)-1-naphthalen-1-ylhex-2-ynyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,4R)-4-(benzotriazol-1-yl)-1-(1-naphthyl)hex-2-ynyl]-4-methyl-benzenesulfonamide Formula: C29H26N4O2S MolecularWeight: 494.60734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC(C1=CC=CC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)C)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CC[C@H](C#C[C@@H](C1=CC=CC2=CC=CC=C21)NS(=O)(=O)C3=CC=C(C=C3)C)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C29H26N4O2S/c1-3-23(33-29-14-7-6-13-28(29)30-32-33)17-20-27(26-12-8-10-22-9-4-5-11-25(22)26)31-36(34,35)24-18-15-21(2)16-19-24/h4-16,18-19,23,27,31H,3H2,1-2H3/t23-,27+/m1/s1