(2S)-2-(azepan-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide

Systemtic Name: (2S)-2-(azepan-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide Openeye Name: (2S)-2-(azepan-1-yl)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propanamide CAS Name: (2S)-2-(1-azepanyl)-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(azepan-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-(azepan-1-yl)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propionamide Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)N2CCCCCC2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)N2CCCCCC2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H31N3O4S/c1-16-7-8-18(15-19(16)28(25,26)23-11-13-27-14-12-23)21-20(24)17(2)22-9-5-3-4-6-10-22/h7-8,15,17H,3-6,9-14H2,1-2H3,(H,21,24)/t17-/m0/s1