(2S)-2-(aminocarbonylamino)-3-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]butanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-3-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]butanamide Openeye Name: (2S)-3-methyl-N-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-2-ureido-butanamide CAS Name: (2S)-2-(carbamoylamino)-3-methyl-N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]butanamide IUPAC Name: (2S)-2-(carbamoylamino)-3-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]butanamide Traditional Name: (2S)-3-methyl-N-[4-(4-methylpiperidino)sulfonylphenyl]-2-ureido-butyramide Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C(C)C)NC(=O)N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H](C(C)C)NC(=O)N

InChI

InChI=1S/C18H28N4O4S/c1-12(2)16(21-18(19)24)17(23)20-14-4-6-15(7-5-14)27(25,26)22-10-8-13(3)9-11-22/h4-7,12-13,16H,8-11H2,1-3H3,(H,20,23)(H3,19,21,24)/t16-/m0/s1