2-azanyl-3-methyl-3-(4-phenylmethoxyphenyl)-2-piperazin-1-ylsulfonyl-butanamide

Systemtic Name: 2-azanyl-3-methyl-3-(4-phenylmethoxyphenyl)-2-piperazin-1-ylsulfonyl-butanamide Openeye Name: 2-amino-3-(4-benzyloxyphenyl)-3-methyl-2-piperazin-1-ylsulfonyl-butanamide CAS Name: 2-amino-3-methyl-3-(4-phenylmethoxyphenyl)-2-(1-piperazinylsulfonyl)butanamide IUPAC Name: 2-amino-3-methyl-3-(4-phenylmethoxyphenyl)-2-piperazin-1-ylsulfonylbutanamide Traditional Name: 2-amino-3-(4-benzoxyphenyl)-3-methyl-2-piperazinosulfonyl-butyramide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(C(=O)N)(N)S(=O)(=O)N3CCNCC3

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(C(=O)N)(N)S(=O)(=O)N3CCNCC3

InChI

InChI=1S/C22H30N4O4S/c1-21(2,22(24,20(23)27)31(28,29)26-14-12-25-13-15-26)18-8-10-19(11-9-18)30-16-17-6-4-3-5-7-17/h3-11,25H,12-16,24H2,1-2H3,(H2,23,27)