N-[3-(azepan-1-yl)propyl]-2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(3,5-dimethyl-N-methylsulfonyl-anilino)propanamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-mesyl-3,5-dimethyl-anilino)propionamide Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C(C)C(=O)NCCCN2CCCCCC2)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C(C)C(=O)NCCCN2CCCCCC2)S(=O)(=O)C)C

InChI

InChI=1S/C21H35N3O3S/c1-17-14-18(2)16-20(15-17)24(28(4,26)27)19(3)21(25)22-10-9-13-23-11-7-5-6-8-12-23/h14-16,19H,5-13H2,1-4H3,(H,22,25)