N-(1,3-benzothiazol-6-ylsulfonyl)-3-methyl-N-[2-(2-methylpropylamino)-1-phenyl-butan-2-yl]pentanamide

Systemtic Name: N-(1,3-benzothiazol-6-ylsulfonyl)-3-methyl-N-[2-(2-methylpropylamino)-1-phenyl-butan-2-yl]pentanamide Openeye Name: N-(1,3-benzothiazol-6-ylsulfonyl)-N-[1-benzyl-1-(isobutylamino)propyl]-3-methyl-pentanamide CAS Name: N-(1,3-benzothiazol-6-ylsulfonyl)-3-methyl-N-[2-(2-methylpropylamino)-1-phenylbutan-2-yl]pentanamide IUPAC Name: N-(1,3-benzothiazol-6-ylsulfonyl)-3-methyl-N-[2-(2-methylpropylamino)-1-phenylbutan-2-yl]pentanamide Traditional Name: N-(1,3-benzothiazol-6-ylsulfonyl)-N-[1-benzyl-1-(isobutylamino)propyl]-3-methyl-valeramide Formula: C27H37N3O3S2 MolecularWeight: 515.73098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)N(C(CC)(CC1=CC=CC=C1)NCC(C)C)S(=O)(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CCC(C)CC(=O)N(C(CC)(CC1=CC=CC=C1)NCC(C)C)S(=O)(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C27H37N3O3S2/c1-6-21(5)15-26(31)30(35(32,33)23-13-14-24-25(16-23)34-19-28-24)27(7-2,29-18-20(3)4)17-22-11-9-8-10-12-22/h8-14,16,19-21,29H,6-7,15,17-18H2,1-5H3