N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-methylbutan-2-ylamino)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-methylbutan-2-ylamino)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(1,1-dimethylpropylamino)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(2-methylbutan-2-ylamino)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(2-methylbutan-2-ylamino)acetamide Traditional Name: 2-(tert-amylamino)-N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]acetamide Formula: C19H30ClN3O3S MolecularWeight: 415.9778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

Isomeric SMILES

CCC(C)(C)NCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C19H30ClN3O3S/c1-4-19(2,3)21-14-18(24)22-17-13-15(9-10-16(17)20)27(25,26)23-11-7-5-6-8-12-23/h9-10,13,21H,4-8,11-12,14H2,1-3H3,(H,22,24)