[bis(azanyl)methylideneamino]methylsulfonyl (E)-3-naphthalen-1-yl-2-pyridin-3-yl-prop-2-enoate

Systemtic Name: [bis(azanyl)methylideneamino]methylsulfonyl (E)-3-naphthalen-1-yl-2-pyridin-3-yl-prop-2-enoate Openeye Name: guanidinomethylsulfonyl (E)-3-(1-naphthyl)-2-(3-pyridyl)prop-2-enoate CAS Name: (E)-3-(1-naphthalenyl)-2-(3-pyridinyl)-2-propenoic acid (diaminomethylideneamino)methylsulfonyl ester IUPAC Name: (diaminomethylideneamino)methylsulfonyl (E)-3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoate Traditional Name: (E)-3-(1-naphthyl)-2-(3-pyridyl)acrylic acid guanidinomethylsulfonyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C=C(C3=CN=CC=C3)C(=O)OS(=O)(=O)CN=C(N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2/C=C(\C3=CN=CC=C3)/C(=O)OS(=O)(=O)CN=C(N)N

InChI

InChI=1S/C20H18N4O4S/c21-20(22)24-13-29(26,27)28-19(25)18(16-8-4-10-23-12-16)11-15-7-3-6-14-5-1-2-9-17(14)15/h1-12H,13H2,(H4,21,22,24)/b18-11+