3-[4-(2,2-dimethylpentanoyl)phenyl]-1-methyl-1-[1-(phenylsulfonyl)piperidin-4-yl]urea

Systemtic Name: 3-[4-(2,2-dimethylpentanoyl)phenyl]-1-methyl-1-[1-(phenylsulfonyl)piperidin-4-yl]urea Openeye Name: 1-[1-(benzenesulfonyl)-4-piperidyl]-3-[4-(2,2-dimethylpentanoyl)phenyl]-1-methyl-urea CAS Name: 1-[1-(benzenesulfonyl)-4-piperidinyl]-3-[4-(2,2-dimethyl-1-oxopentyl)phenyl]-1-methylurea IUPAC Name: 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[4-(2,2-dimethylpentanoyl)phenyl]-1-methylurea Traditional Name: 1-(1-besyl-4-piperidyl)-3-[4-(2,2-dimethylpentanoyl)phenyl]-1-methyl-urea Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C(=O)C1=CC=C(C=C1)NC(=O)N(C)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(C)(C)C(=O)C1=CC=C(C=C1)NC(=O)N(C)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H35N3O4S/c1-5-17-26(2,3)24(30)20-11-13-21(14-12-20)27-25(31)28(4)22-15-18-29(19-16-22)34(32,33)23-9-7-6-8-10-23/h6-14,22H,5,15-19H2,1-4H3,(H,27,31)