3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]benzamide Formula: C18H26ClN3O4S MolecularWeight: 415.93474

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H26ClN3O4S/c1-3-20-17(23)13(2)21-18(24)14-8-9-15(19)16(12-14)27(25,26)22-10-6-4-5-7-11-22/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,20,23)(H,21,24)/t13-/m0/s1