N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-thiophen-3-yl-propanamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-thiophen-3-yl-propanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-(3-thienyl)propanamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-(3-thiophenyl)propanamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-thiophen-3-ylpropanamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-(3-thienyl)propionamide Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCC2=CSC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCC2=CSC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5S2/c1-26(23,24)13-3-4-14(15(10-13)19(21)22)17-7-8-18-16(20)5-2-12-6-9-25-11-12/h3-4,6,9-11,17H,2,5,7-8H2,1H3,(H,18,20)