N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-[(4-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-(4-methylpiperidino)sulfonyl-benzamide Formula: C26H35N3O5S2 MolecularWeight: 533.7032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

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