3-chloranyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(4-mesyl-2-nitro-anilino)ethyl]benzothiophene-2-carboxamide Formula: C18H16ClN3O5S2 MolecularWeight: 453.91974

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=C(C3=CC=CC=C3S2)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=C(C3=CC=CC=C3S2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O5S2/c1-29(26,27)11-6-7-13(14(10-11)22(24)25)20-8-9-21-18(23)17-16(19)12-4-2-3-5-15(12)28-17/h2-7,10,20H,8-9H2,1H3,(H,21,23)