2-[2,3-dihydro-1,4-benzodioxin-6-yl(phenylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(phenylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-[besyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-pyrrolidinobenzyl)acetamide Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)CN(C3=CC4=C(C=C3)OCCO4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)CN(C3=CC4=C(C=C3)OCCO4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O5S/c31-27(28-19-21-8-10-22(11-9-21)29-14-4-5-15-29)20-30(36(32,33)24-6-2-1-3-7-24)23-12-13-25-26(18-23)35-17-16-34-25/h1-3,6-13,18H,4-5,14-17,19-20H2,(H,28,31)