N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(Z)-(2-prop-2-ynoxyphenyl)methyleneamino]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(Z)-(2-propargyloxybenzylidene)amino]-4-pyrrolidinosulfonyl-benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1C=NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C#CCOC1=CC=CC=C1/C=N\NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H21N3O4S/c1-2-15-28-20-8-4-3-7-18(20)16-22-23-21(25)17-9-11-19(12-10-17)29(26,27)24-13-5-6-14-24/h1,3-4,7-12,16H,5-6,13-15H2,(H,23,25)/b22-16-