2-azanyl-N-(1,3-benzodioxol-5-ylsulfonyl)-3-methyl-N-[2-(2-methylpropylamino)-1-phenyl-butan-2-yl]butanamide

Systemtic Name: 2-azanyl-N-(1,3-benzodioxol-5-ylsulfonyl)-3-methyl-N-[2-(2-methylpropylamino)-1-phenyl-butan-2-yl]butanamide Openeye Name: 2-amino-N-(1,3-benzodioxol-5-ylsulfonyl)-N-[1-benzyl-1-(isobutylamino)propyl]-3-methyl-butanamide CAS Name: 2-amino-N-(1,3-benzodioxol-5-ylsulfonyl)-3-methyl-N-[2-(2-methylpropylamino)-1-phenylbutan-2-yl]butanamide IUPAC Name: 2-amino-N-(1,3-benzodioxol-5-ylsulfonyl)-3-methyl-N-[2-(2-methylpropylamino)-1-phenylbutan-2-yl]butanamide Traditional Name: 2-amino-N-(1,3-benzodioxol-5-ylsulfonyl)-N-[1-benzyl-1-(isobutylamino)propyl]-3-methyl-butyramide Formula: C26H37N3O5S MolecularWeight: 503.65408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)(NCC(C)C)N(C(=O)C(C(C)C)N)S(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(CC1=CC=CC=C1)(NCC(C)C)N(C(=O)C(C(C)C)N)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C26H37N3O5S/c1-6-26(28-16-18(2)3,15-20-10-8-7-9-11-20)29(25(30)24(27)19(4)5)35(31,32)21-12-13-22-23(14-21)34-17-33-22/h7-14,18-19,24,28H,6,15-17,27H2,1-5H3