N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(3,5-dimethylpiperidino)sulfonyl-benzamide Formula: C26H35N3O5S2 MolecularWeight: 533.7032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C26H35N3O5S2/c1-20-16-21(2)19-29(18-20)35(31,32)24-12-10-22(11-13-24)26(30)27-23-8-7-9-25(17-23)36(33,34)28-14-5-3-4-6-15-28/h7-13,17,20-21H,3-6,14-16,18-19H2,1-2H3,(H,27,30)