N-[2-(azepan-1-yl)ethyl]-2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)propanamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-(5-chloro-N-mesyl-2-methyl-anilino)propionamide Formula: C19H30ClN3O3S MolecularWeight: 415.9778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(C(C)C(=O)NCCN2CCCCCC2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(C(C)C(=O)NCCN2CCCCCC2)S(=O)(=O)C

InChI

InChI=1S/C19H30ClN3O3S/c1-15-8-9-17(20)14-18(15)23(27(3,25)26)16(2)19(24)21-10-13-22-11-6-4-5-7-12-22/h8-9,14,16H,4-7,10-13H2,1-3H3,(H,21,24)