N-[4-(4-azanylphenoxy)butan-2-yl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[4-(4-azanylphenoxy)butan-2-yl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: N-[3-(4-aminophenoxy)-1-methyl-propyl]-1-(benzenesulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[4-(4-aminophenoxy)butan-2-yl]-1-(benzenesulfonyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[4-(4-aminophenoxy)butan-2-yl]-1-(benzenesulfonyl)pyrrolidine-2-carboxamide Traditional Name: N-[3-(4-aminophenoxy)-1-methyl-propyl]-1-besyl-pyrrolidine-2-carboxamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=CC=C(C=C1)N)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CCOC1=CC=C(C=C1)N)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-16(13-15-28-18-11-9-17(22)10-12-18)23-21(25)20-8-5-14-24(20)29(26,27)19-6-3-2-4-7-19/h2-4,6-7,9-12,16,20H,5,8,13-15,22H2,1H3,(H,23,25)