[5-(1H-imidazol-2-ylsulfonyl)-4-(3-oxidanylpropylamino)-2-[(phenylmethyl)amino]phenyl]-piperazin-1-yl-methanone

Systemtic Name: [5-(1H-imidazol-2-ylsulfonyl)-4-(3-oxidanylpropylamino)-2-[(phenylmethyl)amino]phenyl]-piperazin-1-yl-methanone Openeye Name: [2-(benzylamino)-4-(3-hydroxypropylamino)-5-(1H-imidazol-2-ylsulfonyl)phenyl]-piperazin-1-yl-methanone CAS Name: [4-(3-hydroxypropylamino)-5-(1H-imidazol-2-ylsulfonyl)-2-[(phenylmethyl)amino]phenyl]-(1-piperazinyl)methanone IUPAC Name: [2-(benzylamino)-4-(3-hydroxypropylamino)-5-(1H-imidazol-2-ylsulfonyl)phenyl]-piperazin-1-ylmethanone Traditional Name: [2-(benzylamino)-4-(3-hydroxypropylamino)-5-(1H-imidazol-2-ylsulfonyl)phenyl]-piperazino-methanone Formula: C24H30N6O4S MolecularWeight: 498.5978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2NCC3=CC=CC=C3)NCCCO)S(=O)(=O)C4=NC=CN4

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2NCC3=CC=CC=C3)NCCCO)S(=O)(=O)C4=NC=CN4

InChI

InChI=1S/C24H30N6O4S/c31-14-4-7-26-21-16-20(29-17-18-5-2-1-3-6-18)19(23(32)30-12-10-25-11-13-30)15-22(21)35(33,34)24-27-8-9-28-24/h1-3,5-6,8-9,15-16,25-26,29,31H,4,7,10-14,17H2,(H,27,28)