N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-morpholinosulfonylphenyl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-morpholinosulfonylphenyl)propionamide Formula: C26H35N3O6S2 MolecularWeight: 549.7026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H35N3O6S2/c1-21-6-10-23(20-25(21)37(33,34)28-14-4-2-3-5-15-28)27-26(30)13-9-22-7-11-24(12-8-22)36(31,32)29-16-18-35-19-17-29/h6-8,10-12,20H,2-5,9,13-19H2,1H3,(H,27,30)