N-[2-(azepan-1-yl)ethyl]-2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-(2,5-dimethyl-N-methylsulfonyl-anilino)propanamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-(N-mesyl-2,5-dimethyl-anilino)propionamide Formula: C20H33N3O3S MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3S/c1-16-9-10-17(2)19(15-16)23(27(4,25)26)18(3)20(24)21-11-14-22-12-7-5-6-8-13-22/h9-10,15,18H,5-8,11-14H2,1-4H3,(H,21,24)