N-[(2S)-3-methyl-1-oxidanylidene-1-(pentylamino)butan-2-yl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-(pentylamino)butan-2-yl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(1S)-2-methyl-1-(pentylcarbamoyl)propyl]-3-morpholinosulfonyl-benzamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-(pentylamino)butan-2-yl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-(pentylamino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(1S)-1-(amylcarbamoyl)-2-methyl-propyl]-3-morpholinosulfonyl-benzamide Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(C(C)C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCCCCNC(=O)[C@H](C(C)C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C21H33N3O5S/c1-4-5-6-10-22-21(26)19(16(2)3)23-20(25)17-8-7-9-18(15-17)30(27,28)24-11-13-29-14-12-24/h7-9,15-16,19H,4-6,10-14H2,1-3H3,(H,22,26)(H,23,25)/t19-/m0/s1