N-[(E)-[1-(benzotriazol-1-yl)-1-pyrrol-1-yl-octadecan-2-ylidene]amino]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(E)-[1-(benzotriazol-1-yl)-1-pyrrol-1-yl-octadecan-2-ylidene]amino]-4-methyl-benzenesulfonamide Openeye Name: N-[(E)-1-[benzotriazol-1-yl(pyrrol-1-yl)methyl]heptadecylideneamino]-4-methyl-benzenesulfonamide CAS Name: N-[(E)-[1-(1-benzotriazolyl)-1-(1-pyrrolyl)octadecan-2-ylidene]amino]-4-methylbenzenesulfonamide IUPAC Name: N-[(E)-[1-(benzotriazol-1-yl)-1-pyrrol-1-yloctadecan-2-ylidene]amino]-4-methylbenzenesulfonamide Traditional Name: N-[(E)-1-[benzotriazol-1-yl(pyrrol-1-yl)methyl]heptadecylideneamino]-4-methyl-benzenesulfonamide Formula: C35H50N6O2S MolecularWeight: 618.8755

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=NNS(=O)(=O)C1=CC=C(C=C1)C)C(N2C=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCCCCCCCCCCCCCCC/C(=N\NS(=O)(=O)C1=CC=C(C=C1)C)/C(N2C=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C35H50N6O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-33(37-39-44(42,43)31-26-24-30(2)25-27-31)35(40-28-19-20-29-40)41-34-23-18-17-21-32(34)36-38-41/h17-21,23-29,35,39H,3-16,22H2,1-2H3/b37-33+