N-[3-(azepan-1-yl)propyl]-4-[5-methyl-4-(phenylsulfonylmethyl)-1,3-oxazol-2-yl]benzamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-[5-methyl-4-(phenylsulfonylmethyl)-1,3-oxazol-2-yl]benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-[4-(benzenesulfonylmethyl)-5-methyl-oxazol-2-yl]benzamide CAS Name: N-[3-(1-azepanyl)propyl]-4-[4-(benzenesulfonylmethyl)-5-methyl-2-oxazolyl]benzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-[4-(besylmethyl)-5-methyl-oxazol-2-yl]benzamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)NCCCN3CCCCCC3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)NCCCN3CCCCCC3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O4S/c1-21-25(20-35(32,33)24-10-5-4-6-11-24)29-27(34-21)23-14-12-22(13-15-23)26(31)28-16-9-19-30-17-7-2-3-8-18-30/h4-6,10-15H,2-3,7-9,16-20H2,1H3,(H,28,31)