3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]butanamide

Systemtic Name: 3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]butanamide Openeye Name: 3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholinosulfonyl-phenyl]butanamide CAS Name: 3,3-dimethyl-N-[2-(4-methyl-1-piperazinyl)-5-(4-morpholinylsulfonyl)phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]butanamide Traditional Name: 3,3-dimethyl-N-[2-(4-methylpiperazino)-5-morpholinosulfonyl-phenyl]butyramide Formula: C21H34N4O4S MolecularWeight: 438.58406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCN(CC3)C

Isomeric SMILES

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCN(CC3)C

InChI

InChI=1S/C21H34N4O4S/c1-21(2,3)16-20(26)22-18-15-17(30(27,28)25-11-13-29-14-12-25)5-6-19(18)24-9-7-23(4)8-10-24/h5-6,15H,7-14,16H2,1-4H3,(H,22,26)