4-(3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]butanamide

Systemtic Name: 4-(3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]butanamide Openeye Name: 4-(3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]butanamide CAS Name: 4-(3-methylphenoxy)-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]butanamide IUPAC Name: 4-(3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]butanamide Traditional Name: 4-(3-methylphenoxy)-N-[4-(4-methylpiperazino)sulfonylphenyl]butyramide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C22H29N3O4S/c1-18-5-3-6-20(17-18)29-16-4-7-22(26)23-19-8-10-21(11-9-19)30(27,28)25-14-12-24(2)13-15-25/h3,5-6,8-11,17H,4,7,12-16H2,1-2H3,(H,23,26)