(2S)-2-(cycloheptylamino)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide

Systemtic Name: (2S)-2-(cycloheptylamino)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide Openeye Name: (2S)-2-(cycloheptylamino)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propanamide CAS Name: (2S)-2-(cycloheptylamino)-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(cycloheptylamino)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-(cycloheptylamino)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propionamide Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)NC2CCCCCC2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)NC2CCCCCC2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H33N3O4S/c1-16-9-10-19(15-20(16)29(26,27)24-11-13-28-14-12-24)23-21(25)17(2)22-18-7-5-3-4-6-8-18/h9-10,15,17-18,22H,3-8,11-14H2,1-2H3,(H,23,25)/t17-/m0/s1