ethyl N-[4-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]carbamate

Systemtic Name: ethyl N-[4-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]carbamate Openeye Name: ethyl N-[4-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]carbamate CAS Name: N-[4-[[3-(1-azepanylsulfonyl)anilino]-oxomethyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]carbamate Traditional Name: N-[4-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]carbamic acid ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27N3O5S/c1-2-30-22(27)24-18-12-10-17(11-13-18)21(26)23-19-8-7-9-20(16-19)31(28,29)25-14-5-3-4-6-15-25/h7-13,16H,2-6,14-15H2,1H3,(H,23,26)(H,24,27)