N-[2-(3-carbamimidoylphenoxy)ethyl]-4-piperazin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-piperazin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-piperazin-1-ylsulfonyl-benzamide CAS Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(1-piperazinylsulfonyl)benzamide IUPAC Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-4-piperazin-1-ylsulfonylbenzamide Traditional Name: N-[2-(3-amidinophenoxy)ethyl]-4-piperazinosulfonyl-benzamide Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCOC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCOC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C20H25N5O4S/c21-19(22)16-2-1-3-17(14-16)29-13-10-24-20(26)15-4-6-18(7-5-15)30(27,28)25-11-8-23-9-12-25/h1-7,14,23H,8-13H2,(H3,21,22)(H,24,26)