ethyl 4-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[3-(1-azepanylsulfonyl)anilino]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N3O5S/c1-2-29-21(26)23-14-10-17(11-15-23)20(25)22-18-8-7-9-19(16-18)30(27,28)24-12-5-3-4-6-13-24/h7-9,16-17H,2-6,10-15H2,1H3,(H,22,25)