[2-(2-azanylethylamino)-5-(3-oxidanylpropylsulfonyl)-4-(pyridin-4-ylmethylamino)phenyl]-piperazin-1-yl-methanone

Systemtic Name: [2-(2-azanylethylamino)-5-(3-oxidanylpropylsulfonyl)-4-(pyridin-4-ylmethylamino)phenyl]-piperazin-1-yl-methanone Openeye Name: [2-(2-aminoethylamino)-5-(3-hydroxypropylsulfonyl)-4-(4-pyridylmethylamino)phenyl]-piperazin-1-yl-methanone CAS Name: [2-(2-aminoethylamino)-5-(3-hydroxypropylsulfonyl)-4-(pyridin-4-ylmethylamino)phenyl]-(1-piperazinyl)methanone IUPAC Name: [2-(2-aminoethylamino)-5-(3-hydroxypropylsulfonyl)-4-(pyridin-4-ylmethylamino)phenyl]-piperazin-1-ylmethanone Traditional Name: [2-(2-aminoethylamino)-5-(3-hydroxypropylsulfonyl)-4-(4-pyridylmethylamino)phenyl]-piperazino-methanone Formula: C22H32N6O4S MolecularWeight: 476.59228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2NCCN)NCC3=CC=NC=C3)S(=O)(=O)CCCO

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2NCCN)NCC3=CC=NC=C3)S(=O)(=O)CCCO

InChI

InChI=1S/C22H32N6O4S/c23-4-7-26-19-15-20(27-16-17-2-5-24-6-3-17)21(33(31,32)13-1-12-29)14-18(19)22(30)28-10-8-25-9-11-28/h2-3,5-6,14-15,25-27,29H,1,4,7-13,16,23H2