4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide

Systemtic Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide Openeye Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide CAS Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]butanamide IUPAC Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide Traditional Name: 4-[1,3-benzodioxol-5-yl(mesyl)amino]-N-(4-pyrrolidinobenzyl)butyramide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NCC1=CC=C(C=C1)N2CCCC2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NCC1=CC=C(C=C1)N2CCCC2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O5S/c1-32(28,29)26(20-10-11-21-22(15-20)31-17-30-21)14-4-5-23(27)24-16-18-6-8-19(9-7-18)25-12-2-3-13-25/h6-11,15H,2-5,12-14,16-17H2,1H3,(H,24,27)