2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-[(2-fluorophenyl)carbamoyl]ethanamide

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-[(2-fluorophenyl)carbamoyl]ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-N-[(2-fluoroanilino)-oxomethyl]acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide Formula: C21H25FN4O4S MolecularWeight: 448.511003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC(=O)NC3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C21H25FN4O4S/c22-18-10-3-4-11-19(18)24-21(28)25-20(27)15-23-16-8-7-9-17(14-16)31(29,30)26-12-5-1-2-6-13-26/h3-4,7-11,14,23H,1-2,5-6,12-13,15H2,(H2,24,25,27,28)