N-[3-cyano-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)thiophen-2-yl]-2-nitro-benzamide

Systemtic Name: N-[3-cyano-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)thiophen-2-yl]-2-nitro-benzamide Openeye Name: N-[3-cyano-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)-2-thienyl]-2-nitro-benzamide CAS Name: N-[3-cyano-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)-2-thiophenyl]-2-nitrobenzamide IUPAC Name: N-[3-cyano-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)thiophen-2-yl]-2-nitrobenzamide Traditional Name: N-[3-cyano-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)-2-thienyl]-2-nitro-benzamide Formula: C22H18N4O5S2 MolecularWeight: 482.53212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=CC=CC=C2C1)S(=O)(=O)C3=CC(=C(S3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])C#N

Isomeric SMILES

C1CCN(C2=CC=CC=C2C1)S(=O)(=O)C3=CC(=C(S3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])C#N

InChI

InChI=1S/C22H18N4O5S2/c23-14-16-13-20(32-22(16)24-21(27)17-9-2-4-11-19(17)26(28)29)33(30,31)25-12-6-5-8-15-7-1-3-10-18(15)25/h1-4,7,9-11,13H,5-6,8,12H2,(H,24,27)